Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT443 | Individual Protein | Histone acetyltransferase GCN5 | Homo sapiens | Potency | 39810.7 | nM | PubChem BioAssay data set | |
NPT888 | Individual Protein | 78 kDa glucose-regulated protein | Homo sapiens | Potency | 44668.4 | nM | PubChem BioAssay data set | |
NPT66 | Individual Protein | Acetylcholinesterase | Electrophorus electricus | Inhibition | = | -8.37 | % | 23062825 |
NPT67 | Individual Protein | Cholinesterase | Equus caballus | Inhibition | = | 15.12 | % | 23062825 |
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 NPC320936 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 |
---|---|---|
0.7582 | Intermediate Similarity | NPC477729 |
0.7292 | Intermediate Similarity | NPC160066 |
0.7222 | Intermediate Similarity | NPC227051 |
0.7174 | Intermediate Similarity | NPC470282 |
0.7143 | Intermediate Similarity | NPC83839 |
0.7111 | Intermediate Similarity | NPC145748 |
0.7111 | Intermediate Similarity | NPC95478 |
0.7111 | Intermediate Similarity | NPC155670 |
0.7033 | Intermediate Similarity | NPC253975 |
0.7033 | Intermediate Similarity | NPC192025 |
0.7033 | Intermediate Similarity | NPC125253 |
0.6932 | Remote Similarity | NPC473984 |
0.6813 | Remote Similarity | NPC47135 |
0.6765 | Remote Similarity | NPC227622 |
0.6742 | Remote Similarity | NPC475616 |
0.6735 | Remote Similarity | NPC470283 |
0.6702 | Remote Similarity | NPC477728 |
0.6667 | Remote Similarity | NPC86064 |
0.6629 | Remote Similarity | NPC474003 |
0.6593 | Remote Similarity | NPC314466 |
0.6556 | Remote Similarity | NPC315131 |
0.6556 | Remote Similarity | NPC478017 |
0.6556 | Remote Similarity | NPC315535 |
0.6552 | Remote Similarity | NPC474100 |
0.6552 | Remote Similarity | NPC475260 |
0.6552 | Remote Similarity | NPC51249 |
0.6552 | Remote Similarity | NPC475232 |
0.6552 | Remote Similarity | NPC43219 |
0.6552 | Remote Similarity | NPC473775 |
0.6552 | Remote Similarity | NPC473699 |
0.6548 | Remote Similarity | NPC286842 |
0.6531 | Remote Similarity | NPC270005 |
0.6531 | Remote Similarity | NPC208537 |
0.65 | Remote Similarity | NPC470363 |
0.6471 | Remote Similarity | NPC82315 |
0.646 | Remote Similarity | NPC477237 |
0.6456 | Remote Similarity | NPC190385 |
0.6452 | Remote Similarity | NPC477730 |
0.6444 | Remote Similarity | NPC316242 |
0.6404 | Remote Similarity | NPC228411 |
0.6392 | Remote Similarity | NPC470284 |
0.6355 | Remote Similarity | NPC137453 |
0.6353 | Remote Similarity | NPC469925 |
0.6348 | Remote Similarity | NPC477238 |
0.6341 | Remote Similarity | NPC17455 |
0.6329 | Remote Similarity | NPC8979 |
0.6316 | Remote Similarity | NPC314268 |
0.6316 | Remote Similarity | NPC477515 |
0.6316 | Remote Similarity | NPC473791 |
0.6316 | Remote Similarity | NPC476523 |
0.6316 | Remote Similarity | NPC313802 |
0.6316 | Remote Similarity | NPC67917 |
0.6304 | Remote Similarity | NPC474702 |
0.6265 | Remote Similarity | NPC106216 |
0.6265 | Remote Similarity | NPC88898 |
0.6262 | Remote Similarity | NPC471844 |
0.625 | Remote Similarity | NPC474403 |
0.6234 | Remote Similarity | NPC123814 |
0.6216 | Remote Similarity | NPC76660 |
0.6216 | Remote Similarity | NPC276995 |
0.6207 | Remote Similarity | NPC478256 |
0.6207 | Remote Similarity | NPC28526 |
0.619 | Remote Similarity | NPC316250 |
0.618 | Remote Similarity | NPC476248 |
0.6163 | Remote Similarity | NPC470110 |
0.6163 | Remote Similarity | NPC195165 |
0.6162 | Remote Similarity | NPC159369 |
0.6162 | Remote Similarity | NPC39290 |
0.6154 | Remote Similarity | NPC330017 |
0.6136 | Remote Similarity | NPC477200 |
0.6136 | Remote Similarity | NPC470268 |
0.6102 | Remote Similarity | NPC315783 |
0.6098 | Remote Similarity | NPC68974 |
0.6092 | Remote Similarity | NPC472579 |
0.6087 | Remote Similarity | NPC233108 |
0.6076 | Remote Similarity | NPC2801 |
0.6061 | Remote Similarity | NPC203170 |
0.6061 | Remote Similarity | NPC292345 |
0.6055 | Remote Similarity | NPC317534 |
0.6047 | Remote Similarity | NPC222327 |
0.6047 | Remote Similarity | NPC188231 |
0.6047 | Remote Similarity | NPC241949 |
0.6047 | Remote Similarity | NPC470109 |
0.6044 | Remote Similarity | NPC476324 |
0.6044 | Remote Similarity | NPC476130 |
0.6026 | Remote Similarity | NPC474322 |
0.6022 | Remote Similarity | NPC470014 |
0.6 | Remote Similarity | NPC308096 |
0.6 | Remote Similarity | NPC291228 |
0.6 | Remote Similarity | NPC208657 |
0.6 | Remote Similarity | NPC138435 |
0.5978 | Remote Similarity | NPC472594 |
0.5963 | Remote Similarity | NPC236644 |
0.596 | Remote Similarity | NPC314364 |
0.596 | Remote Similarity | NPC52533 |
0.5955 | Remote Similarity | NPC476696 |
0.5955 | Remote Similarity | NPC476695 |
0.5955 | Remote Similarity | NPC476694 |
0.5955 | Remote Similarity | NPC306973 |
0.593 | Remote Similarity | NPC470108 |
0.593 | Remote Similarity | NPC476330 |
0.5909 | Remote Similarity | NPC474299 |
0.5909 | Remote Similarity | NPC474298 |
0.5909 | Remote Similarity | NPC473985 |
0.5909 | Remote Similarity | NPC475808 |
0.5909 | Remote Similarity | NPC28348 |
0.5909 | Remote Similarity | NPC315531 |
0.5904 | Remote Similarity | NPC319131 |
0.59 | Remote Similarity | NPC322966 |
0.5893 | Remote Similarity | NPC477997 |
0.5889 | Remote Similarity | NPC185419 |
0.5889 | Remote Similarity | NPC184550 |
0.5889 | Remote Similarity | NPC141325 |
0.5888 | Remote Similarity | NPC42320 |
0.5888 | Remote Similarity | NPC188453 |
0.5882 | Remote Similarity | NPC235788 |
0.5875 | Remote Similarity | NPC469937 |
0.5875 | Remote Similarity | NPC53463 |
0.5875 | Remote Similarity | NPC320588 |
0.5875 | Remote Similarity | NPC23155 |
0.5872 | Remote Similarity | NPC74035 |
0.587 | Remote Similarity | NPC217725 |
0.587 | Remote Similarity | NPC477002 |
0.5862 | Remote Similarity | NPC209734 |
0.5859 | Remote Similarity | NPC476717 |
0.5859 | Remote Similarity | NPC258824 |
0.5856 | Remote Similarity | NPC70235 |
0.5854 | Remote Similarity | NPC322148 |
0.5851 | Remote Similarity | NPC191345 |
0.5851 | Remote Similarity | NPC252483 |
0.5849 | Remote Similarity | NPC220234 |
0.5843 | Remote Similarity | NPC211428 |
0.5843 | Remote Similarity | NPC476285 |
0.5843 | Remote Similarity | NPC476291 |
0.5841 | Remote Similarity | NPC34977 |
0.5841 | Remote Similarity | NPC246399 |
0.5833 | Remote Similarity | NPC302188 |
0.5833 | Remote Similarity | NPC116320 |
0.5833 | Remote Similarity | NPC211049 |
0.5833 | Remote Similarity | NPC119922 |
0.5818 | Remote Similarity | NPC475918 |
0.5816 | Remote Similarity | NPC151176 |
0.5816 | Remote Similarity | NPC475963 |
0.5816 | Remote Similarity | NPC3464 |
0.5814 | Remote Similarity | NPC314103 |
0.581 | Remote Similarity | NPC471843 |
0.58 | Remote Similarity | NPC51662 |
0.5795 | Remote Similarity | NPC477760 |
0.5795 | Remote Similarity | NPC477754 |
0.5795 | Remote Similarity | NPC206601 |
0.5795 | Remote Similarity | NPC477758 |
0.5795 | Remote Similarity | NPC477761 |
0.5795 | Remote Similarity | NPC477759 |
0.5789 | Remote Similarity | NPC22742 |
0.5789 | Remote Similarity | NPC294748 |
0.5789 | Remote Similarity | NPC85759 |
0.5789 | Remote Similarity | NPC318258 |
0.5789 | Remote Similarity | NPC261750 |
0.5789 | Remote Similarity | NPC158302 |
0.5789 | Remote Similarity | NPC477344 |
0.5789 | Remote Similarity | NPC146992 |
0.5789 | Remote Similarity | NPC477346 |
0.5789 | Remote Similarity | NPC1111 |
0.5784 | Remote Similarity | NPC65359 |
0.5784 | Remote Similarity | NPC470114 |
0.5784 | Remote Similarity | NPC476019 |
0.5783 | Remote Similarity | NPC179624 |
0.5778 | Remote Similarity | NPC33267 |
0.5778 | Remote Similarity | NPC114640 |
0.5778 | Remote Similarity | NPC126366 |
0.5778 | Remote Similarity | NPC169976 |
0.5778 | Remote Similarity | NPC170963 |
0.5778 | Remote Similarity | NPC324165 |
0.5772 | Remote Similarity | NPC477793 |
0.5772 | Remote Similarity | NPC329919 |
0.5765 | Remote Similarity | NPC469923 |
0.5761 | Remote Similarity | NPC472595 |
0.5758 | Remote Similarity | NPC475206 |
0.5758 | Remote Similarity | NPC476715 |
0.575 | Remote Similarity | NPC72722 |
0.5747 | Remote Similarity | NPC469926 |
0.5747 | Remote Similarity | NPC474402 |
0.5745 | Remote Similarity | NPC83108 |
0.5745 | Remote Similarity | NPC214030 |
0.5743 | Remote Similarity | NPC193386 |
0.5743 | Remote Similarity | NPC470009 |
0.573 | Remote Similarity | NPC50228 |
0.573 | Remote Similarity | NPC268922 |
0.573 | Remote Similarity | NPC224700 |
0.573 | Remote Similarity | NPC320663 |
0.573 | Remote Similarity | NPC97736 |
0.5729 | Remote Similarity | NPC207657 |
0.5728 | Remote Similarity | NPC472197 |
0.5726 | Remote Similarity | NPC6531 |
0.5714 | Remote Similarity | NPC121062 |
0.5714 | Remote Similarity | NPC96966 |
0.5714 | Remote Similarity | NPC15413 |
0.5714 | Remote Similarity | NPC29222 |
0.5714 | Remote Similarity | NPC474468 |
0.5702 | Remote Similarity | NPC314629 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC320936 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 |
---|---|---|---|
0.7115 | Intermediate Similarity | NPD8087 | Discontinued |
0.6813 | Remote Similarity | NPD7345 | Approved |
0.6765 | Remote Similarity | NPD8139 | Approved |
0.6765 | Remote Similarity | NPD8086 | Approved |
0.6765 | Remote Similarity | NPD8084 | Approved |
0.6765 | Remote Similarity | NPD8085 | Approved |
0.6765 | Remote Similarity | NPD8083 | Approved |
0.6765 | Remote Similarity | NPD8138 | Approved |
0.6765 | Remote Similarity | NPD8082 | Approved |
0.6735 | Remote Similarity | NPD8394 | Approved |
0.6731 | Remote Similarity | NPD8393 | Approved |
0.6699 | Remote Similarity | NPD8275 | Approved |
0.6699 | Remote Similarity | NPD8276 | Approved |
0.6667 | Remote Similarity | NPD8307 | Discontinued |
0.6667 | Remote Similarity | NPD8140 | Approved |
0.6635 | Remote Similarity | NPD8081 | Approved |
0.6627 | Remote Similarity | NPD9421 | Phase 1 |
0.6585 | Remote Similarity | NPD7909 | Approved |
0.6556 | Remote Similarity | NPD7917 | Clinical (unspecified phase) |
0.6556 | Remote Similarity | NPD7918 | Clinical (unspecified phase) |
0.6549 | Remote Similarity | NPD8346 | Approved |
0.6549 | Remote Similarity | NPD8345 | Approved |
0.6549 | Remote Similarity | NPD8347 | Approved |
0.6456 | Remote Similarity | NPD9023 | Clinical (unspecified phase) |
0.6392 | Remote Similarity | NPD4264 | Clinical (unspecified phase) |
0.6348 | Remote Similarity | NPD8444 | Approved |
0.6341 | Remote Similarity | NPD9676 | Phase 3 |
0.6275 | Remote Similarity | NPD6428 | Approved |
0.625 | Remote Similarity | NPD6944 | Clinical (unspecified phase) |
0.6239 | Remote Similarity | NPD8305 | Approved |
0.6239 | Remote Similarity | NPD8306 | Approved |
0.6234 | Remote Similarity | NPD3215 | Phase 1 |
0.6162 | Remote Similarity | NPD3716 | Discontinued |
0.6105 | Remote Similarity | NPD882 | Phase 2 |
0.6105 | Remote Similarity | NPD883 | Phase 2 |
0.6102 | Remote Similarity | NPD7830 | Approved |
0.6102 | Remote Similarity | NPD7829 | Approved |
0.6091 | Remote Similarity | NPD6941 | Approved |
0.6087 | Remote Similarity | NPD3160 | Suspended |
0.6068 | Remote Similarity | NPD8267 | Approved |
0.6068 | Remote Similarity | NPD8266 | Approved |
0.6068 | Remote Similarity | NPD8269 | Approved |
0.6068 | Remote Similarity | NPD8268 | Approved |
0.6067 | Remote Similarity | NPD6704 | Discontinued |
0.6061 | Remote Similarity | NPD618 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD9454 | Approved |
0.6 | Remote Similarity | NPD1448 | Clinical (unspecified phase) |
0.5981 | Remote Similarity | NPD8301 | Approved |
0.5981 | Remote Similarity | NPD8300 | Approved |
0.5974 | Remote Similarity | NPD3214 | Discontinued |
0.5918 | Remote Similarity | NPD619 | Phase 3 |
0.5905 | Remote Similarity | NPD881 | Approved |
0.5893 | Remote Similarity | NPD6421 | Discontinued |
0.5889 | Remote Similarity | NPD1147 | Phase 2 |
0.5875 | Remote Similarity | NPD3730 | Approved |
0.5875 | Remote Similarity | NPD3728 | Approved |
0.587 | Remote Similarity | NPD11 | Approved |
0.587 | Remote Similarity | NPD376 | Approved |
0.587 | Remote Similarity | NPD2257 | Approved |
0.5862 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.5843 | Remote Similarity | NPD2696 | Approved |
0.5843 | Remote Similarity | NPD8277 | Approved |
0.5843 | Remote Similarity | NPD2697 | Approved |
0.5843 | Remote Similarity | NPD2694 | Approved |
0.5843 | Remote Similarity | NPD2695 | Approved |
0.5833 | Remote Similarity | NPD9656 | Approved |
0.5812 | Remote Similarity | NPD7641 | Discontinued |
0.5806 | Remote Similarity | NPD2689 | Clinical (unspecified phase) |
0.5773 | Remote Similarity | NPD7643 | Phase 1 |
0.5761 | Remote Similarity | NPD632 | Discontinued |
0.573 | Remote Similarity | NPD8278 | Approved |
0.573 | Remote Similarity | NPD3724 | Clinical (unspecified phase) |
0.5728 | Remote Similarity | NPD7983 | Approved |
0.5714 | Remote Similarity | NPD3187 | Discontinued |
0.5699 | Remote Similarity | NPD1453 | Phase 1 |
0.5698 | Remote Similarity | NPD1151 | Approved |
0.5684 | Remote Similarity | NPD3732 | Approved |
0.5682 | Remote Similarity | NPD2263 | Discontinued |
0.5682 | Remote Similarity | NPD375 | Phase 2 |
0.5679 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.5673 | Remote Similarity | NPD1447 | Phase 3 |
0.5673 | Remote Similarity | NPD1446 | Phase 3 |
0.5667 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.5663 | Remote Similarity | NPD9439 | Approved |
0.5663 | Remote Similarity | NPD9438 | Approved |
0.5656 | Remote Similarity | NPD8341 | Approved |
0.5656 | Remote Similarity | NPD8340 | Approved |
0.5656 | Remote Similarity | NPD8299 | Approved |
0.5656 | Remote Similarity | NPD8342 | Approved |
0.5641 | Remote Similarity | NPD6940 | Discontinued |
0.5641 | Remote Similarity | NPD9018 | Approved |
0.5641 | Remote Similarity | NPD9017 | Approved |
0.5636 | Remote Similarity | NPD8045 | Clinical (unspecified phase) |
0.562 | Remote Similarity | NPD8080 | Discontinued |
0.5619 | Remote Similarity | NPD573 | Clinical (unspecified phase) |
0.561 | Remote Similarity | NPD8451 | Approved |
0.5607 | Remote Similarity | NPD3715 | Approved |
0.5607 | Remote Similarity | NPD8038 | Phase 2 |
0.5607 | Remote Similarity | NPD3713 | Approved |
0.5607 | Remote Similarity | NPD3714 | Approved |
0.5604 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
PubChem CID   | 2733489 |
ChEMBL   | CHEMBL1700939 |
ZINC   |
Molecular Weight:   | 705.39 |
ALogP:   | -4.3819 |
MLogP:   | 3.55 |
XLogP:   | 3.605 |
# Rotatable Bonds:   | 42 |
Polar Surface Area:   | 268.28 |
# H-Bond Aceptor:   | 15 |
# H-Bond Donor:   | 7 |
# Rings:   | 0 |
# Heavy Atoms:   | 49 |