SCHEMBL3945846

SCHEMBL3945846

COc1ccc(-c2ccnn(CC=Cc3ccc(C)cc3)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.44
ALOX5 P09917 6/20 0.44
MCHR1 Q99705 3/20 0.41
NPBWR1 P48145 3/20 0.41
MAOB P27338 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAOA P21397 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GRM1 Q13255 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 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
SCHEMBL6103834 0.90 ALOX5 (0.45) ALOX5NPBWR1MAOBMAOAALDH1A1
SCHEMBL391820 0.78 RELA (0.43) RELAALOX5MAOBMAOAALDH1A1
SCHEMBL391819 0.78 RELA (0.43) RELAALOX5MAOBMAOAALDH1A1
SCHEMBL9735984 0.74 ALDH1A1 (0.53) MCHR1NPBWR1NPSR1ALDH1A1NPC1
SCHEMBL9674148 0.74 ALDH1A1 (0.53) MCHR1NPBWR1NPSR1ALDH1A1NPC1
SCHEMBL392812 0.72 MEN1 (0.41) ALOX5MAOBNPSR1ALDH1A1HPGD
SCHEMBL392811 0.72 MEN1 (0.41) ALOX5MAOBNPSR1ALDH1A1HPGD
SCHEMBL23531491 0.70 NPBWR1 (0.42) MCHR1NPBWR1KMT2A
SCHEMBL394998 0.68 AHR (0.41) RELAALOX5MAOBNPSR1MAOA
SCHEMBL395643 0.68 NFE2L2 (0.44) ALOX5ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043317-B1 PYRIDAZINE DERIVATIVES AND MEDICAMENTS CONTAINING THEM AS ACTIVE INGREDIENT KOWA CO (JP) 2009-04-15 EP disclosed