SCHEMBL8410563

SCHEMBL8410563

COc1ccc(-c2ccc(C(=N)N)cc2)cc1C(=O)NC1CCC(C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
ST14 Q9Y5Y6 8/20 0.47
F2 P00734 7/20 0.47
PRSS1 P07477 7/20 0.47
PRSS2 P07478 5/20 0.47
PRSS3 P35030 5/20 0.47
PLG P00747 2/20 0.47
F10 P00742 1/20 0.46
PDE4B Q07343 3/20 0.43
MAPK14 Q16539 1/20 0.43
TMPRSS15 P98073 2/20 0.43
ALDH1A1 P00352 2/20 0.43
FYN P06241 1/20 0.43
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8410171 0.92 CFTR (0.48) KDM1AST14F2PRSS1PRSS2
SCHEMBL9568086 0.86 F2 (0.46) KDM1AST14F2PRSS1PRSS2
SCHEMBL9568084 0.86 F2 (0.46) KDM1AST14F2PRSS1PRSS2
Hydrochloric Acid SCHEMBL9568183 0.85 F2 (0.46) KDM1AST14F2PRSS1PRSS2
SCHEMBL8407562 0.85 F2 (0.47) ST14F2PRSS1PRSS2PRSS3
SCHEMBL9568220 0.85 ST14 (0.40) KDM1AST14F2PRSS1PRSS2
SCHEMBL9568223 0.85 ST14 (0.40) KDM1AST14F2PRSS1PRSS2
SCHEMBL8715325 0.84 KDM1A (0.49) KDM1AST14PRSS1PRSS2PRSS3
SCHEMBL9568196 0.83 F2 (0.44) KDM1AST14F2PRSS1PRSS2
SCHEMBL9568245 0.83 F2 (0.41) KDM1AST14F2PRSS1PRSS2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP claimed
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed