SCHEMBL70487

SCHEMBL70487

[CH2]c1nccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.56
CYP2A6 P11509 2/20 0.56
F12 P00748 1/20 0.56
NCF1 P14598 1/20 0.56
NOS3 P29474 1/20 0.56
NOS1 P29475 1/20 0.56
NOS2 P35228 1/20 0.56
BACE1 P56817 1/20 0.56
HRH4 Q9H3N8 1/20 0.46
HTR2C P28335 1/20 0.46
PLG P00747 1/20 0.46
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
CYP3A4 P08684 3/20 0.44

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
SCHEMBL199273 0.75 PLAU (0.60) PLAUCYP2A6F12NCF1NOS3
SCHEMBL29923403 0.75 PLAU (0.60) PLAUCYP2A6F12NCF1NOS3
SCHEMBL24663121 0.73 CYP2A6 (0.58) PLAUCYP2A6F12NCF1NOS3
SCHEMBL4797349 0.73 PLAU (0.58) PLAUCYP2A6F12NCF1NOS3
SCHEMBL30522769 0.73 PLAU (0.58) PLAUCYP2A6F12NCF1NOS3
SCHEMBL24061845 0.73 PLAU (0.52) PLAUCYP2A6F12NCF1NOS3
SCHEMBL70488 0.71 CYP2A6 (1.00) PLAUCYP2A6F12NCF1NOS3
SCHEMBL10011130 0.71 PLAU (0.56) PLAUCYP2A6F12NCF1NOS3
SCHEMBL1010668 0.71 PLAU (0.56) PLAUCYP2A6F12NCF1NOS3
SCHEMBL1741872 0.71 PLAU (0.56) PLAUCYP2A6F12NCF1NOS3

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 1479 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024017178-A1 SUBSTITUTED HYDANTOIN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS AVITAR BIOSCIENCES, INC. (CN) 2024-01-25 WO claimed
EP-3924349-A2 AMINO ACID DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES The Roskamp Institute (US) 2021-12-22 EP claimed
CN-113683616-A KRAS G12C mutein inhibitors 广州百霆医药科技有限公司 2021-11-23 CN claimed
CN-113614074-A Amino acid derivatives for the treatment of inflammatory diseases 罗斯坎普研究所 2021-11-05 CN claimed
EP-3894396-A1 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS Ideaya Biosciences, Inc. (US) 2021-10-20 EP claimed
CN-113166078-A 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors 伊迪亚生物科学有限公司 2021-07-23 CN claimed
WO-2020123395-A1 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-06-18 WO claimed
EP-2951179-B1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2020-03-11 EP claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-3542801-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2019-09-25 EP claimed
EP-0920414-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1999-06-09 EP claimed
WO-1999026926-A1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-06-03 WO claimed
WO-1998052937-A2 4-ARYL-3(5)-HETEROARYL SUBSTITUTED PYRAZOLES AS P38 KINASE G.D. SEARLE AND CO. (US) 1998-11-26 WO claimed
WO-1998033788-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1998-08-06 WO claimed
WO-1997049674-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1997-12-31 WO claimed
WO-1992022523-A2 PEPTIDE DERIVATIVES OF COLLAGENASE INHIBITOR RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-12-23 WO claimed
EP-0201221-B1 6-(1-ACYL-1-HYDROXY METHYL) PENICILLANIC ACID DERIVATIVES PFIZER INC. (US) 1990-08-01 EP claimed
US-4762921-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1988-08-09 US claimed
US-4675186-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1987-06-23 US claimed
EP-0201221-A1 6-(1-acyl-1-hydroxy methyl) penicillanic acid derivatives PFIZER INC. (US) 1986-11-12 EP claimed