SCHEMBL7318993

SCHEMBL7318993

COc1ccc(CNc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
NPC1 O15118 6/20 0.64
HPGD P15428 1/20 0.61
RAB9A P51151 5/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 2/20 0.59
MEN1 O00255 1/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.54
PTPN1 P18031 1/20 0.53
EGFR P00533 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7164868 0.88 MAPT (0.84) MAPTL3MBTL1NPC1RAB9AKMT2A
SCHEMBL31382898 0.87 NPC1 (0.59) MAPTL3MBTL1NPC1HPGDRAB9A
SCHEMBL3400808 0.86 SMN1; SMN2 (0.70) MAPTL3MBTL1NPC1HPGDRAB9A
SCHEMBL4309629 0.86 MAPT (0.62) MAPTL3MBTL1NPC1HPGDRAB9A
SCHEMBL10360050 0.84 MAPT (0.73) MAPTL3MBTL1RAB9AKMT2ALMNA
SCHEMBL21608415 0.83 NPC1 (0.56) MAPTL3MBTL1NPC1HPGDRAB9A
SCHEMBL6474847 0.83 HTR6 (0.58) MAPTL3MBTL1NPC1KMT2ASMN1; SMN2
SCHEMBL2130528 0.83 MAPT (0.60) MAPTL3MBTL1NPC1RAB9AKMT2A
SCHEMBL102602 0.83 MAPT (0.77) MAPTL3MBTL1NPC1RAB9AKMT2A
SCHEMBL14407558 0.82 MAPT (0.58) MAPTL3MBTL1NPC1HPGDRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024056019-A1 BICYCLIC COMPOUNDS AS CDK INHIBITORS BEIGENE, LTD. (KY) 2024-03-21 WO disclosed
CN-106986861-A Antiviral compound 艾伯维巴哈马有限公司 2017-07-28 CN disclosed
CN-103819459-B Anti-Viral Compounds 艾伯维巴哈马有限公司 2017-05-17 CN disclosed
CN-102333772-A Antiviral compounds ABBOTT LAB 2012-01-25 CN disclosed
US-20070212267-A1 Method and apparatus for performing micro-scale chemical reactions TOTAL SYNTHESIS LTD. (CA) 2007-09-13 US disclosed
US-20070212267-A1 Method and apparatus for performing micro-scale chemical reactions TOTAL SYNTHESIS LTD. (CA) 2007-09-13 US disclosed
EP-0710230-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-09-16 EP disclosed
CN-1176646-A CCK or gastrin modulating 5 -heterocyclic-1, 5-benzodiazepines GLAXO WELLCOME INC (US) 1998-03-18 CN disclosed
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US disclosed
US-5075304-A Nervous system disorders NOVO NORDISK A/S (DK) 1991-12-24 US disclosed
EP-0190817-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-09-05 EP disclosed
EP-0344943-A1 Imidazoquinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-12-06 EP disclosed
US-4857540-A 1-SUBSTITUTED-2-MERCAPTO-(OR AMINOMETHYL-)BENZAMIDAZOLE COMPOUNDS SMITHKLINE BECKMAN CORPORATION (US) 1989-08-15 US disclosed
US-4728741-A DOPAMINE BETA-HYDROXYLASE INHIBITOR SMITHKLINE BECKMAN CORPORATION (US) 1988-03-01 US disclosed
EP-0190817-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1986-08-13 EP disclosed