Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO3595 | Euscaphis japonica | Species | Staphyleaceae | Eukaryota | Twigs | Yangming mountain, Taiwan | 2008-APR |
PMID[20873721] |
NPO13467 | Anarsia lineatella | Species | Gelechiidae | Eukaryota | UNPD* | |||
NPO28670 | Mortierella elongata | Species | Mortierellaceae | Eukaryota | UNPD* | |||
NPO22364 | Weigela subsessilis | Species | Caprifoliaceae | Eukaryota | Leaves |
PMID[16595930] |
||
NPO5158 | Cecropia pachystachya | Species | Urticaceae | Eukaryota | UNPD* | |||
NPO746 | Panax innovans | Species | Araliaceae | Eukaryota | UNPD* | |||
NPO3595 | Euscaphis japonica | Species | Staphyleaceae | Eukaryota | Twigs | DOI[10.1021/np1003593] | ||
NPO10946 | Scedosporium boydii | Species | Microascaceae | Eukaryota | UNPD* | |||
NPO28691 | Streptomyces odorifer | Species | Streptomycetaceae | Bacteria | UNPD* | |||
NPO3595 | Euscaphis japonica | Species | Staphyleaceae | Eukaryota | pericarp |
PMID[4421158] |
||
NPO13014 | Ipomoea cairica | Species | Convolvulaceae | Eukaryota | UNPD* | |||
NPO22175 | Perovskia abrotanoides | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO5158 | Cecropia pachystachya | Species | Urticaceae | Eukaryota | Leaves |
PMID[18260049] |
||
NPO28334 | Pyrola decorata | Species | Ericaceae | Eukaryota | UNPD* | |||
NPO5191 | Penicillium cinerascens | Species | Aspergillaceae | Eukaryota | UNPD* | |||
NPO28633 | Bystropogon origanifolius | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO9467 | Rosa woodsii | Species | Rosaceae | Eukaryota | Leaves |
PMID[9748372] |
||
NPO8068 | Blumea mollis | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO11144 | Centella asiatica | Species | Apiaceae | Eukaryota | UNPD* | |||
NPO28303 | Pleogyne cunninghamii | Species | Menispermaceae | Eukaryota | UNPD* | |||
NPO13968 | Garcinia scortechinii | Species | Clusiaceae | Eukaryota | UNPD* | |||
NPO3465 | Aconitum leucostomum | Species | Ranunculaceae | Eukaryota | UNPD* | |||
NPO4671 | Persea mexicana | Species | Lauraceae | Eukaryota | UNPD* | |||
NPO28200 | Unonopsis glaucopetala | Species | Annonaceae | Eukaryota | UNPD* | |||
NPO29554 | Diospyros kaki | Species | Ebenaceae | Eukaryota | Leaves |
PMID[18798681] |
||
NPO28269 | Rubus rosa | Species | Rosaceae | Eukaryota | UNPD* | |||
NPO27990 | Schizonepeta multifida | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO9096 | Scutellaria lateriflora | Species | Lamiaceae | Eukaryota | Aerial parts |
PMID[19555121] |
||
NPO26412 | Streptomyces tauricus | Species | Streptomycetaceae | Bacteria | UNPD* | |||
NPO28374 | Pleogyne cunninghami | Species | Menispermaceae | Eukaryota | UNPD* | |||
NPO11998 | Ledebouria socialis | Species | Hyacinthaceae | Eukaryota | UNPD* | |||
NPO27943 | Cardamine pinnata | Species | Brassicaceae | Eukaryota | UNPD* | |||
NPO6331 | Jacobaea subalpina | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO28656 | Lactobacillus casei | Species | Lactobacillaceae | Bacteria | UNPD* | |||
NPO12450 | Cneorum pulverulentum | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO12509 | Dipterocarpus dyeri | Species | Dipterocarpaceae | Eukaryota | UNPD* | |||
NPO20395 | Athanasia crithmifolia | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO14358 | Rhodobacter sphaeroides | Species | Rhodobacteraceae | Bacteria | UNPD* | |||
NPO28576 | Berberis julianae | Species | Berberidaceae | Eukaryota | UNPD* | |||
NPO14162 | Chlorophytum borivilianum | Species | Asparagaceae | Eukaryota | UNPD* | |||
NPO28131 | Polygala amara | Species | Polygalaceae | Eukaryota | UNPD* | |||
NPO11492 | Kopsia grandifolia | Species | Apocynaceae | Eukaryota | UNPD* | |||
NPO14057 | Apollonias barbujana | Species | Lauraceae | Eukaryota | UNPD* | |||
NPO8892 | Sordaria araneosa | Species | Sordariaceae | Eukaryota | UNPD* | |||
NPO26254 | Fagus crenata | Species | Fagaceae | Eukaryota | UNPD* | |||
NPO1795 | Fragaria vesca | Species | Rosaceae | Eukaryota | UNPD* | |||
NPO28704 | Agaricus hortensis | Species | Agaricaceae | Eukaryota | UNPD* | |||
NPO28614 | Zieria smithii | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO205 | Lasianthus fordii | Species | Rubiaceae | Eukaryota | UNPD* | |||
NPO9679 | Radix sanguisorbae | Species | Lymnaeidae | Eukaryota | TCMSP* | |||
NPO28053 | Quercus serrata | Species | Fagaceae | Eukaryota | UNPD* | |||
NPO28011 | Swertia japonica | Species | Gentianaceae | Eukaryota | UNPD* | |||
NPO27677 | Uncariae ramulus cumuncis | NA | NA | NA | TCMSP* | |||
NPO28217 | Septoria pistaciarum | Species | Mycosphaerellaceae | Eukaryota | UNPD* | |||
NPO27959 | Codonocarpus australis | Species | Gyrostemonaceae | Eukaryota | UNPD* | |||
NPO7224 | Boehmeriae rhizoma et radix | NA | NA | NA | TCMSP* | |||
NPO28035 | Streptomyces fumanus | Species | Streptomycetaceae | Bacteria | UNPD* | |||
NPO3287 | Hymenoxys scaposa | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO29709 | Rosae laevigatae fructus | NA | NA | NA | TCMSP* | |||
NPO28528 | Bridelia ferruginea | Species | Phyllanthaceae | Eukaryota | UNPD* | |||
NPO8650 | Perilla frutescens | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO24113 | Potentillae discoloris herba | NA | NA | NA | TCMSP* | |||
NPO27867 | Turbo argyrostoma | Species | Turbinidae | Eukaryota | UNPD* | |||
NPO25704 | Tetraneuris acaulis | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO28563 | Potentillae chinensis herba | NA | NA | NA | TCMSP* | |||
NPO29546 | Eriobotryae folium | NA | NA | NA | TCMSP* | |||
NPO16703 | Isodon lophanthoides | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO20081 | Mycobacterium tuberculosis | Species | Mycobacteriaceae | Bacteria | UNPD* | |||
NPO27178 | Ilicis purpureae folium | NA | NA | NA | TCMSP* | |||
NPO28161 | Stephania sutchuenensis | Species | Menispermaceae | Eukaryota | UNPD* | |||
NPO12357 | Lycopus europaeus | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO11441 | Barbacenia flava | Species | Velloziaceae | Eukaryota | UNPD* | |||
NPO22699 | Echinops setifer | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO7016 | Gardenia tubifera | Species | Rubiaceae | Eukaryota | UNPD* | |||
NPO4163 | Echinopsis latifolius | Species | Cactaceae | Eukaryota | TM-MC* | |||
NPO29353 | Benzoin praecox | NA | NA | NA | UNPD* | |||
NPO16765 | Knoxia valerianoides | Species | Rubiaceae | Eukaryota | TM-MC* | |||
NPO16669 | Diospyros verrucosa | Species | Ebenaceae | Eukaryota | UNPD* | |||
NPO13524 | Pyrola japonica | Species | Ericaceae | Eukaryota | TM-MC* | |||
NPO28509 | Achillea clypeolata | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO28391 | Euonymus nanoides | Species | Celastraceae | Eukaryota | UNPD* | |||
NPO28696 | Rhaponticum uniflorum | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO4004 | Aquilegia ecalcarata | Species | Ranunculaceae | Eukaryota | UNPD* | |||
NPO28596 | Streptomyces lavendofoliae | Species | Streptomycetaceae | Bacteria | UNPD* | |||
NPO29115 | Rhinella arenarum | Species | Bufonidae | Eukaryota | UNPD* | |||
NPO10550 | Artemisia hanseniana | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO28073 | Crateva nurvala | Species | Capparaceae | Eukaryota | UNPD* | |||
NPO13766 | Ceanothus velutinus | Species | Rhamnaceae | Eukaryota | UNPD* | |||
NPO16124 | Hyptis capitata | Species | Lamiaceae | Eukaryota | Whole Plants |
PMID[9748372] |
||
NPO25776 | Buddleja scordioides | Species | Scrophulariaceae | Eukaryota | UNPD* | |||
NPO28481 | Cerbera dilatata | Species | Apocynaceae | Eukaryota | UNPD* | |||
NPO22364 | Weigela subsessilis | Species | Caprifoliaceae | Eukaryota | Stems |
PMID[16595930] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | = | 48900 | nM | 11141100 |
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | = | 23.3 | ug/ml | 9748372 |
NPT759 | Cell Line | H9 | Homo sapiens | EC50 | = | 1.4 | ug/ml | 9748372 |
NPT2 | Others | Unspecified | Ratio IC50/EC50 | = | 16.6 | 9748372 | ||
NPT178 | Individual Protein | Protein-tyrosine phosphatase 1B | Homo sapiens | IC50 | = | 3900 | nM | 18798681 |
NPT759 | Cell Line | H9 | Homo sapiens | EC50 | = | 3000 | nM | 11141100 |
NPT2 | Others | Unspecified | Ratio IC50/EC50 | = | 16.3 | 11141100 | ||
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 17220 | nM | 20176479 |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | IC50 | = | 13950 | nM | 20176479 |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | IC50 | = | 19160 | nM | 20176479 |
NPT148 | Cell Line | HCT-15 | Homo sapiens | IC50 | = | 13720 | nM | 20176479 |
NPT83 | Cell Line | MCF7 | Homo sapiens | Activity | = | 79 | % | 20873721 |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | Activity | = | 82 | % | 20873721 |
NPT139 | Cell Line | HT-29 | Homo sapiens | Activity | = | 91 | % | 20873721 |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | Activity | = | 92 | % | 20873721 |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | 16330.52 | nM | PubChem BioAssay data set | |
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 13645.83 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 18706.82 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 16519.62 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 11297.96 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 4446.31 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 4345.1 | nM | PubChem BioAssay data set | |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | 8974.29 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 3250.87 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 12331.05 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 18967.06 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 6486.34 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 18578.04 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 4864.07 | nM | PubChem BioAssay data set | |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | 15488.17 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 14125.38 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 17701.09 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 20183.66 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 15667.51 | nM | PubChem BioAssay data set | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | 8790.23 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 14454.4 | nM | PubChem BioAssay data set | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 13867.56 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 21928.05 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 13867.56 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 12416.52 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 2978.52 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 16255.49 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 16826.74 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | 15739.83 | nM | PubChem BioAssay data set | |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | 14387.99 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 17100.15 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 17218.69 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 14996.85 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 13489.63 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 10616.96 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 12246.16 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 17139.57 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 18323.14 | nM | PubChem BioAssay data set | |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | 19952.62 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 17947.34 | nM | PubChem BioAssay data set | |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | 16368.17 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 5407.54 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 3491.4 | nM | PubChem BioAssay data set | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | 13963.68 | nM | PubChem BioAssay data set | |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | 15452.54 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 16519.62 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 3221.07 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 5382.7 | nM | PubChem BioAssay data set | |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | 3515.6 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 5420.01 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 10256.52 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 13614.45 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 16443.72 | nM | PubChem BioAssay data set |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC158059 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
1.0 | High Similarity | NPC202728 |
1.0 | High Similarity | NPC118519 |
0.9885 | High Similarity | NPC114159 |
0.9885 | High Similarity | NPC6818 |
0.9885 | High Similarity | NPC191412 |
0.9884 | High Similarity | NPC187722 |
0.977 | High Similarity | NPC229281 |
0.9767 | High Similarity | NPC7260 |
0.9767 | High Similarity | NPC477872 |
0.9767 | High Similarity | NPC273621 |
0.9767 | High Similarity | NPC120968 |
0.9767 | High Similarity | NPC227467 |
0.9767 | High Similarity | NPC290614 |
0.9767 | High Similarity | NPC18872 |
0.9767 | High Similarity | NPC210037 |
0.9663 | High Similarity | NPC158371 |
0.9663 | High Similarity | NPC132824 |
0.9663 | High Similarity | NPC116457 |
0.9663 | High Similarity | NPC207922 |
0.9663 | High Similarity | NPC327179 |
0.9663 | High Similarity | NPC62516 |
0.9663 | High Similarity | NPC259733 |
0.9663 | High Similarity | NPC157113 |
0.9655 | High Similarity | NPC105189 |
0.9655 | High Similarity | NPC38754 |
0.9651 | High Similarity | NPC64872 |
0.9651 | High Similarity | NPC198664 |
0.9651 | High Similarity | NPC25906 |
0.9651 | High Similarity | NPC143232 |
0.9651 | High Similarity | NPC290972 |
0.9651 | High Similarity | NPC274330 |
0.9556 | High Similarity | NPC255589 |
0.9556 | High Similarity | NPC187933 |
0.9556 | High Similarity | NPC259788 |
0.9556 | High Similarity | NPC247139 |
0.9556 | High Similarity | NPC9613 |
0.9551 | High Similarity | NPC96916 |
0.9545 | High Similarity | NPC118490 |
0.954 | High Similarity | NPC126369 |
0.954 | High Similarity | NPC111110 |
0.954 | High Similarity | NPC130278 |
0.954 | High Similarity | NPC193750 |
0.954 | High Similarity | NPC291028 |
0.954 | High Similarity | NPC470589 |
0.9535 | High Similarity | NPC473242 |
0.9535 | High Similarity | NPC17733 |
0.9535 | High Similarity | NPC470629 |
0.9535 | High Similarity | NPC290690 |
0.9535 | High Similarity | NPC182797 |
0.9535 | High Similarity | NPC474512 |
0.9535 | High Similarity | NPC52169 |
0.9535 | High Similarity | NPC181225 |
0.9451 | High Similarity | NPC174663 |
0.9444 | High Similarity | NPC173744 |
0.9444 | High Similarity | NPC73004 |
0.9444 | High Similarity | NPC204961 |
0.9438 | High Similarity | NPC148964 |
0.9438 | High Similarity | NPC60692 |
0.9425 | High Similarity | NPC127689 |
0.9425 | High Similarity | NPC293048 |
0.9425 | High Similarity | NPC130520 |
0.9425 | High Similarity | NPC234346 |
0.9425 | High Similarity | NPC121798 |
0.9425 | High Similarity | NPC61543 |
0.9425 | High Similarity | NPC263393 |
0.9425 | High Similarity | NPC270768 |
0.9425 | High Similarity | NPC470588 |
0.9425 | High Similarity | NPC225585 |
0.9425 | High Similarity | NPC59263 |
0.9419 | High Similarity | NPC68160 |
0.9419 | High Similarity | NPC242468 |
0.9419 | High Similarity | NPC51700 |
0.9419 | High Similarity | NPC88716 |
0.9419 | High Similarity | NPC18064 |
0.9419 | High Similarity | NPC307426 |
0.9419 | High Similarity | NPC98442 |
0.9419 | High Similarity | NPC102683 |
0.9419 | High Similarity | NPC130577 |
0.9419 | High Similarity | NPC171203 |
0.9419 | High Similarity | NPC293564 |
0.9419 | High Similarity | NPC142415 |
0.9348 | High Similarity | NPC35239 |
0.9341 | High Similarity | NPC43686 |
0.9333 | High Similarity | NPC83693 |
0.9333 | High Similarity | NPC473240 |
0.9333 | High Similarity | NPC290481 |
0.9326 | High Similarity | NPC275809 |
0.9318 | High Similarity | NPC474728 |
0.931 | High Similarity | NPC246708 |
0.931 | High Similarity | NPC40552 |
0.9302 | High Similarity | NPC72638 |
0.9247 | High Similarity | NPC233012 |
0.9247 | High Similarity | NPC118964 |
0.9247 | High Similarity | NPC256247 |
0.9247 | High Similarity | NPC54909 |
0.9239 | High Similarity | NPC29765 |
0.9239 | High Similarity | NPC271614 |
0.9239 | High Similarity | NPC111214 |
0.9231 | High Similarity | NPC476327 |
0.9231 | High Similarity | NPC476318 |
0.9222 | High Similarity | NPC159365 |
0.9222 | High Similarity | NPC263548 |
0.9222 | High Similarity | NPC209868 |
0.9222 | High Similarity | NPC32407 |
0.9222 | High Similarity | NPC299996 |
0.9222 | High Similarity | NPC20235 |
0.9222 | High Similarity | NPC231063 |
0.9222 | High Similarity | NPC145667 |
0.9222 | High Similarity | NPC88116 |
0.9222 | High Similarity | NPC282395 |
0.9213 | High Similarity | NPC235884 |
0.9213 | High Similarity | NPC324341 |
0.9213 | High Similarity | NPC306541 |
0.9213 | High Similarity | NPC60755 |
0.9213 | High Similarity | NPC71074 |
0.9213 | High Similarity | NPC155120 |
0.9213 | High Similarity | NPC84319 |
0.9213 | High Similarity | NPC966 |
0.9213 | High Similarity | NPC52021 |
0.9213 | High Similarity | NPC145067 |
0.9213 | High Similarity | NPC472149 |
0.9213 | High Similarity | NPC25299 |
0.9213 | High Similarity | NPC233455 |
0.9213 | High Similarity | NPC282616 |
0.9213 | High Similarity | NPC288833 |
0.9213 | High Similarity | NPC300351 |
0.9213 | High Similarity | NPC77099 |
0.9213 | High Similarity | NPC158030 |
0.9213 | High Similarity | NPC228784 |
0.9213 | High Similarity | NPC285184 |
0.9213 | High Similarity | NPC235704 |
0.9213 | High Similarity | NPC4036 |
0.9213 | High Similarity | NPC65120 |
0.9213 | High Similarity | NPC474525 |
0.9213 | High Similarity | NPC470590 |
0.9205 | High Similarity | NPC474686 |
0.9205 | High Similarity | NPC95246 |
0.9205 | High Similarity | NPC474972 |
0.9205 | High Similarity | NPC161751 |
0.9195 | High Similarity | NPC71507 |
0.9195 | High Similarity | NPC73064 |
0.913 | High Similarity | NPC312075 |
0.913 | High Similarity | NPC106112 |
0.913 | High Similarity | NPC261935 |
0.913 | High Similarity | NPC189880 |
0.913 | High Similarity | NPC203343 |
0.9121 | High Similarity | NPC32118 |
0.9121 | High Similarity | NPC139570 |
0.9111 | High Similarity | NPC133579 |
0.9111 | High Similarity | NPC307335 |
0.9111 | High Similarity | NPC298554 |
0.9111 | High Similarity | NPC214756 |
0.9111 | High Similarity | NPC136313 |
0.9111 | High Similarity | NPC272075 |
0.9111 | High Similarity | NPC63118 |
0.9111 | High Similarity | NPC474806 |
0.9111 | High Similarity | NPC295643 |
0.9111 | High Similarity | NPC86368 |
0.9111 | High Similarity | NPC49776 |
0.9111 | High Similarity | NPC74855 |
0.9111 | High Similarity | NPC474436 |
0.9101 | High Similarity | NPC49320 |
0.9101 | High Similarity | NPC120840 |
0.9101 | High Similarity | NPC113989 |
0.9101 | High Similarity | NPC46441 |
0.9101 | High Similarity | NPC86372 |
0.9101 | High Similarity | NPC172361 |
0.908 | High Similarity | NPC74363 |
0.908 | High Similarity | NPC73038 |
0.908 | High Similarity | NPC475862 |
0.9032 | High Similarity | NPC58942 |
0.9032 | High Similarity | NPC260149 |
0.9032 | High Similarity | NPC164349 |
0.9022 | High Similarity | NPC201657 |
0.9022 | High Similarity | NPC305464 |
0.9022 | High Similarity | NPC307282 |
0.9022 | High Similarity | NPC19376 |
0.9022 | High Similarity | NPC25848 |
0.9011 | High Similarity | NPC222047 |
0.9011 | High Similarity | NPC91010 |
0.9011 | High Similarity | NPC80365 |
0.9011 | High Similarity | NPC87095 |
0.9011 | High Similarity | NPC474529 |
0.9 | High Similarity | NPC471588 |
0.9 | High Similarity | NPC301244 |
0.9 | High Similarity | NPC475708 |
0.9 | High Similarity | NPC6255 |
0.8989 | High Similarity | NPC30522 |
0.8977 | High Similarity | NPC477926 |
0.8966 | High Similarity | NPC133954 |
0.8958 | High Similarity | NPC284865 |
0.8913 | High Similarity | NPC474727 |
0.8913 | High Similarity | NPC148523 |
0.8913 | High Similarity | NPC53565 |
0.8913 | High Similarity | NPC195715 |
0.8913 | High Similarity | NPC198245 |
0.8876 | High Similarity | NPC474511 |
0.8876 | High Similarity | NPC1753 |
0.8864 | High Similarity | NPC477579 |
0.8864 | High Similarity | NPC56588 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC158059 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.9213 | High Similarity | NPD7515 | Phase 2 |
0.8925 | High Similarity | NPD7902 | Approved |
0.8804 | High Similarity | NPD7748 | Approved |
0.8602 | High Similarity | NPD7900 | Approved |
0.8602 | High Similarity | NPD7901 | Clinical (unspecified phase) |
0.8333 | Intermediate Similarity | NPD7520 | Clinical (unspecified phase) |
0.8298 | Intermediate Similarity | NPD6399 | Phase 3 |
0.8191 | Intermediate Similarity | NPD8034 | Phase 2 |
0.8191 | Intermediate Similarity | NPD8035 | Phase 2 |
0.8068 | Intermediate Similarity | NPD7645 | Phase 2 |
0.8043 | Intermediate Similarity | NPD3618 | Phase 1 |
0.8022 | Intermediate Similarity | NPD4786 | Approved |
0.8 | Intermediate Similarity | NPD3667 | Approved |
0.7789 | Intermediate Similarity | NPD7285 | Clinical (unspecified phase) |
0.7789 | Intermediate Similarity | NPD5328 | Approved |
0.7778 | Intermediate Similarity | NPD7525 | Registered |
0.7767 | Intermediate Similarity | NPD5739 | Approved |
0.7767 | Intermediate Similarity | NPD6675 | Approved |
0.7767 | Intermediate Similarity | NPD6402 | Approved |
0.7767 | Intermediate Similarity | NPD7128 | Approved |
0.7732 | Intermediate Similarity | NPD4202 | Approved |
0.7714 | Intermediate Similarity | NPD6372 | Approved |
0.7714 | Intermediate Similarity | NPD6373 | Approved |
0.7629 | Intermediate Similarity | NPD6079 | Approved |
0.7619 | Intermediate Similarity | NPD6881 | Approved |
0.7619 | Intermediate Similarity | NPD6899 | Approved |
0.7619 | Intermediate Similarity | NPD7320 | Approved |
0.76 | Intermediate Similarity | NPD4755 | Approved |
0.757 | Intermediate Similarity | NPD6650 | Approved |
0.757 | Intermediate Similarity | NPD6649 | Approved |
0.7525 | Intermediate Similarity | NPD7638 | Approved |
0.7524 | Intermediate Similarity | NPD5701 | Approved |
0.7524 | Intermediate Similarity | NPD5697 | Approved |
0.75 | Intermediate Similarity | NPD4697 | Phase 3 |
0.75 | Intermediate Similarity | NPD7513 | Clinical (unspecified phase) |
0.7477 | Intermediate Similarity | NPD6883 | Approved |
0.7477 | Intermediate Similarity | NPD7290 | Approved |
0.7477 | Intermediate Similarity | NPD7102 | Approved |
0.7453 | Intermediate Similarity | NPD6011 | Approved |
0.7451 | Intermediate Similarity | NPD5285 | Approved |
0.7451 | Intermediate Similarity | NPD7639 | Approved |
0.7451 | Intermediate Similarity | NPD5286 | Approved |
0.7451 | Intermediate Similarity | NPD4700 | Approved |
0.7451 | Intermediate Similarity | NPD4696 | Approved |
0.7451 | Intermediate Similarity | NPD7640 | Approved |
0.7449 | Intermediate Similarity | NPD6411 | Approved |
0.7447 | Intermediate Similarity | NPD3665 | Phase 1 |
0.7447 | Intermediate Similarity | NPD3666 | Approved |
0.7447 | Intermediate Similarity | NPD3668 | Phase 3 |
0.7447 | Intermediate Similarity | NPD3133 | Approved |
0.7444 | Intermediate Similarity | NPD6116 | Phase 1 |
0.7426 | Intermediate Similarity | NPD6083 | Phase 2 |
0.7426 | Intermediate Similarity | NPD6084 | Phase 2 |
0.7407 | Intermediate Similarity | NPD8130 | Phase 1 |
0.7407 | Intermediate Similarity | NPD6617 | Approved |
0.7407 | Intermediate Similarity | NPD6847 | Approved |
0.7407 | Intermediate Similarity | NPD6869 | Approved |
0.7407 | Intermediate Similarity | NPD6401 | Clinical (unspecified phase) |
0.7396 | Intermediate Similarity | NPD3573 | Approved |
0.7387 | Intermediate Similarity | NPD8295 | Clinical (unspecified phase) |
0.7387 | Intermediate Similarity | NPD7115 | Discovery |
0.7383 | Intermediate Similarity | NPD6013 | Approved |
0.7383 | Intermediate Similarity | NPD6012 | Approved |
0.7383 | Intermediate Similarity | NPD6014 | Approved |
0.7383 | Intermediate Similarity | NPD8132 | Clinical (unspecified phase) |
0.7379 | Intermediate Similarity | NPD5223 | Approved |
0.7339 | Intermediate Similarity | NPD6882 | Approved |
0.7339 | Intermediate Similarity | NPD8297 | Approved |
0.7333 | Intermediate Similarity | NPD6117 | Approved |
0.7327 | Intermediate Similarity | NPD5222 | Approved |
0.7327 | Intermediate Similarity | NPD5221 | Approved |
0.7327 | Intermediate Similarity | NPD5220 | Clinical (unspecified phase) |
0.7308 | Intermediate Similarity | NPD5225 | Approved |
0.7308 | Intermediate Similarity | NPD4633 | Approved |
0.7308 | Intermediate Similarity | NPD5226 | Approved |
0.7308 | Intermediate Similarity | NPD5224 | Approved |
0.7308 | Intermediate Similarity | NPD5211 | Phase 2 |
0.7304 | Intermediate Similarity | NPD8328 | Phase 3 |
0.7292 | Intermediate Similarity | NPD6684 | Approved |
0.7292 | Intermediate Similarity | NPD3574 | Clinical (unspecified phase) |
0.7292 | Intermediate Similarity | NPD7146 | Approved |
0.7292 | Intermediate Similarity | NPD6409 | Approved |
0.7292 | Intermediate Similarity | NPD5330 | Approved |
0.7292 | Intermediate Similarity | NPD7334 | Approved |
0.7292 | Intermediate Similarity | NPD7521 | Approved |
0.7273 | Intermediate Similarity | NPD5284 | Approved |
0.7273 | Intermediate Similarity | NPD5281 | Approved |
0.7264 | Intermediate Similarity | NPD6008 | Approved |
0.7255 | Intermediate Similarity | NPD5173 | Approved |
0.7245 | Intermediate Similarity | NPD6101 | Approved |
0.7245 | Intermediate Similarity | NPD4753 | Phase 2 |
0.7245 | Intermediate Similarity | NPD5764 | Clinical (unspecified phase) |
0.7238 | Intermediate Similarity | NPD4754 | Approved |
0.7238 | Intermediate Similarity | NPD5174 | Approved |
0.7238 | Intermediate Similarity | NPD5175 | Approved |
0.7228 | Intermediate Similarity | NPD6356 | Clinical (unspecified phase) |
0.7222 | Intermediate Similarity | NPD6942 | Approved |
0.7222 | Intermediate Similarity | NPD7339 | Approved |
0.7204 | Intermediate Similarity | NPD4695 | Discontinued |
0.7184 | Intermediate Similarity | NPD5696 | Approved |
0.7174 | Intermediate Similarity | NPD6118 | Approved |
0.7174 | Intermediate Similarity | NPD6115 | Approved |
0.7174 | Intermediate Similarity | NPD6114 | Approved |
0.7174 | Intermediate Similarity | NPD6697 | Approved |
0.717 | Intermediate Similarity | NPD5141 | Approved |
0.7157 | Intermediate Similarity | NPD7614 | Phase 1 |
0.7143 | Intermediate Similarity | NPD6903 | Approved |
0.7143 | Intermediate Similarity | NPD6672 | Approved |
0.7143 | Intermediate Similarity | NPD5737 | Approved |
0.7143 | Intermediate Similarity | NPD3701 | Clinical (unspecified phase) |
0.7117 | Intermediate Similarity | NPD4632 | Approved |
0.7111 | Intermediate Similarity | NPD6113 | Clinical (unspecified phase) |
0.7103 | Intermediate Similarity | NPD4767 | Approved |
0.7103 | Intermediate Similarity | NPD4768 | Approved |
0.7059 | Intermediate Similarity | NPD4629 | Approved |
0.7059 | Intermediate Similarity | NPD5695 | Phase 3 |
0.7059 | Intermediate Similarity | NPD5210 | Approved |
0.7053 | Intermediate Similarity | NPD4221 | Approved |
0.7053 | Intermediate Similarity | NPD4223 | Phase 3 |
0.7019 | Intermediate Similarity | NPD4225 | Approved |
0.7018 | Intermediate Similarity | NPD6335 | Approved |
0.701 | Intermediate Similarity | NPD5329 | Approved |
0.6991 | Remote Similarity | NPD6274 | Approved |
0.6979 | Remote Similarity | NPD4788 | Approved |
0.6972 | Remote Similarity | NPD4729 | Approved |
0.6972 | Remote Similarity | NPD4730 | Approved |
0.6972 | Remote Similarity | NPD5128 | Approved |
0.6957 | Remote Similarity | NPD7100 | Approved |
0.6957 | Remote Similarity | NPD7101 | Approved |
0.6939 | Remote Similarity | NPD5279 | Phase 3 |
0.6939 | Remote Similarity | NPD6098 | Approved |
0.693 | Remote Similarity | NPD6009 | Approved |
0.693 | Remote Similarity | NPD6317 | Approved |
0.6909 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.6907 | Remote Similarity | NPD4197 | Approved |
0.69 | Remote Similarity | NPD6080 | Approved |
0.69 | Remote Similarity | NPD6673 | Approved |
0.69 | Remote Similarity | NPD6904 | Approved |
0.6881 | Remote Similarity | NPD6412 | Phase 2 |
0.687 | Remote Similarity | NPD6313 | Approved |
0.687 | Remote Similarity | NPD6314 | Approved |
0.6863 | Remote Similarity | NPD5778 | Approved |
0.6863 | Remote Similarity | NPD5779 | Approved |
0.6847 | Remote Similarity | NPD5247 | Approved |
0.6847 | Remote Similarity | NPD5135 | Approved |
0.6847 | Remote Similarity | NPD5169 | Approved |
0.6847 | Remote Similarity | NPD5248 | Approved |
0.6847 | Remote Similarity | NPD4634 | Approved |
0.6847 | Remote Similarity | NPD5249 | Phase 3 |
0.6847 | Remote Similarity | NPD5134 | Clinical (unspecified phase) |
0.6847 | Remote Similarity | NPD5251 | Approved |
0.6847 | Remote Similarity | NPD5250 | Approved |
0.6847 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.6842 | Remote Similarity | NPD6868 | Approved |
0.6838 | Remote Similarity | NPD6909 | Approved |
0.6838 | Remote Similarity | NPD6908 | Approved |
0.6838 | Remote Similarity | NPD6291 | Clinical (unspecified phase) |
0.6827 | Remote Similarity | NPD7732 | Phase 3 |
0.6822 | Remote Similarity | NPD7632 | Discontinued |
0.6818 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.6814 | Remote Similarity | NPD8133 | Approved |
0.6796 | Remote Similarity | NPD6001 | Approved |
0.6786 | Remote Similarity | NPD5215 | Approved |
0.6786 | Remote Similarity | NPD5127 | Approved |
0.6786 | Remote Similarity | NPD5216 | Approved |
0.6786 | Remote Similarity | NPD5217 | Approved |
0.6777 | Remote Similarity | NPD7736 | Approved |
0.6771 | Remote Similarity | NPD5369 | Approved |
0.6768 | Remote Similarity | NPD4623 | Approved |
0.6768 | Remote Similarity | NPD4690 | Approved |
0.6768 | Remote Similarity | NPD4519 | Discontinued |
0.6768 | Remote Similarity | NPD4689 | Approved |
0.6768 | Remote Similarity | NPD5205 | Approved |
0.6768 | Remote Similarity | NPD4693 | Phase 3 |
0.6768 | Remote Similarity | NPD4138 | Approved |
0.6768 | Remote Similarity | NPD4688 | Approved |
0.6752 | Remote Similarity | NPD6319 | Approved |
0.675 | Remote Similarity | NPD7507 | Approved |
0.6739 | Remote Similarity | NPD6926 | Approved |
0.6739 | Remote Similarity | NPD6924 | Approved |
0.6723 | Remote Similarity | NPD7604 | Phase 2 |
0.6703 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.6703 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.6701 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6695 | Remote Similarity | NPD5983 | Phase 2 |
0.6667 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD7492 | Approved |
0.6667 | Remote Similarity | NPD6686 | Approved |
0.6667 | Remote Similarity | NPD7509 | Discontinued |
0.6667 | Remote Similarity | NPD1694 | Approved |
0.6667 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD5168 | Approved |
0.6634 | Remote Similarity | NPD5208 | Approved |
0.6632 | Remote Similarity | NPD3617 | Approved |
0.6632 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6612 | Remote Similarity | NPD6336 | Discontinued |
0.6612 | Remote Similarity | NPD6616 | Approved |
0.661 | Remote Similarity | NPD6059 | Approved |
0.661 | Remote Similarity | NPD6054 | Approved |
PubChem CID   | 382831 |
ChEMBL   | CHEMBL486986 |
ZINC   |
Molecular Weight:   | 472.36 |
ALogP:   | 1.0447 |
MLogP:   | 4.32 |
XLogP:   | 6.778 |
# Rotatable Bonds:   | 11 |
Polar Surface Area:   | 77.76 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 3 |
# Rings:   | 5 |
# Heavy Atoms:   | 34 |