SCHEMBL6574903

SCHEMBL6574903

[CH]c1cc2ccccc2cn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2A6 P11509 1/20 0.54
PDPK1 O15530 1/20 0.54
NPC1 O15118 2/20 0.44
PLAU P00749 1/20 0.44
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.41
HTR3A P46098 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
BTK Q06187 1/20 0.39
NQO2 P16083 1/20 0.39
GPR3 P46089 1/20 0.38
PDE10A Q9Y233 2/20 0.37
CHEK1 O14757 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5470573 0.74 NPC1 (0.63) CYP1A2CYP2A6PDPK1NPC1PLAU
SCHEMBL147859 0.70 CYP1A2 (0.54) CYP1A2CYP2A6PDPK1NPC1PLAU
SCHEMBL4238751 0.70 CYP1A2 (0.54) CYP1A2CYP2A6PDPK1NPC1PLAU
SCHEMBL2011388 0.70 CYP1A2 (0.54) CYP1A2CYP2A6PDPK1NPC1PLAU
SCHEMBL12779137 0.70 CYP1A2 (0.54) CYP1A2CYP2A6PDPK1NPC1PLAU
SCHEMBL1486290 0.70 CYP1A2 (0.54) CYP1A2CYP2A6PDPK1NPC1PLAU
SCHEMBL4026526 0.70 MAPT (0.61) CYP1A2CYP2A6PDPK1NPC1PLAU
SCHEMBL637406 0.70 CYP1A2 (0.54) CYP1A2CYP2A6PDPK1NPC1PLAU
Isoquinolin-3-Amine SCHEMBL177520 0.70 PDPK1 (1.00) CYP1A2CYP2A6PDPK1NPC1PLAU
SCHEMBL427159 0.70 CYP2A6 (0.54) CYP1A2CYP2A6PDPK1NPC1PLAU

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558648-B1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GALARDY RICHARD E (US) 2004-04-28 EP claimed
EP-0558635-B1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GLYCOMED INC (US) 1997-09-10 EP claimed
EP-0558635-A4 IMPROVED MATRIX METALLOPROTEASE INHIBITORS 1993-11-24 EP claimed
EP-0558635-A1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS. GLYCOMED INC (US) 1993-09-08 EP claimed
WO-1992009563-A1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GLYCOMED, INC. (US) 1992-06-11 WO claimed
EP-0558648-B1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GALARDY RICHARD E (US) 2004-04-28 EP disclosed
EP-0663823-B1 INHIBITION OF ANGIOGENESIS BY SYNTHETIC MATRIX METALLOPROTEASE INHIBITORS GLYCOMED INC (US) 2000-11-22 EP disclosed
US-5892112-A ACYLATION OF AMINO ACIDS WITH ANHYDRIDES OR CARBOXY GROUPS, AMIDATION WITH AMINE AND CONVERSION OF ACID OR ESTER TO HYDROXAMIC ACID AND HYDROLYSIS GLYCOMED INCORPORATED (US) 1999-04-06 US disclosed
US-5773438-A SKIN DISORDERS, RESTENOSIS, RHEUMATIC ARTHRITIS, WOUND HEALING AGENTS, ANGIOGENESIS, SHOCK GLYCOMED INCORPORATED (US) 1998-06-30 US disclosed
EP-0558681-B1 TREATMENT FOR TISSUE ULCERATION UNIV FLORIDA (US) 1998-04-08 EP disclosed
US-5696147-A CONTROLLING GROWTH OF TUMORS AND NEOVASCULAR GLAUCOMAS GLYCOMED, INC. (US) 1997-12-09 US disclosed
EP-0558635-B1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GLYCOMED INC (US) 1997-09-10 EP disclosed
US-5239078-A Collagenase enzyme inhibitors GLYCOMED INCORPORATED (US) 1993-08-24 US disclosed
WO-1993013741-A2 INHIBITION OF ANGIOGENESIS BY SYNTHETIC MATRIX METALLOPROTEASE INHIBITORS GLYCOMED, INC. (US) 1993-07-22 WO disclosed
US-5189178-A Preventing protein destruction GALARDY RICHARD E (US) 1993-02-23 US disclosed
US-5183900-A Matrix metalloprotease inhibitors GALARDY RICHARD E (US) 1993-02-02 US disclosed
WO-1992009563-A1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GLYCOMED, INC. (US) 1992-06-11 WO disclosed
WO-1992009556-A1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GALARDY RICHARD E (US) 1992-06-11 WO disclosed
WO-1992009282-A1 TREATMENT FOR TISSUE ULCERATION THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1992-06-11 WO disclosed
US-5114953-A Peptides UNIVERSITY OF FLORIDA (US) 1992-05-19 US disclosed