SCHEMBL27472001

SCHEMBL27472001

O=c1c(Oc2ccc(F)cc2)c(-c2ccc(C[SH](=O)=O)cc2)cnn1-c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 18/20 0.53
MCHR1 Q99705 13/20 0.53
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL27471540 0.92 NPBWR1 (0.47) NPBWR1MCHR1PTGS1PTGS2NPSR1
SCHEMBL27489269 0.90 NPBWR1 (0.52) NPBWR1MCHR1PTGS1PTGS2NPSR1
SCHEMBL27487523 0.88 NPBWR1 (0.53) NPBWR1MCHR1PTGS1PTGS2NPSR1
SCHEMBL27549351 0.85 RAB9A (0.44) NPBWR1MCHR1PTGS1PTGS2NPSR1
SCHEMBL27549880 0.85 NPBWR1 (0.40) NPBWR1MCHR1PTGS1PTGS2NPSR1
SCHEMBL27472008 0.83 RAB9A (0.42) NPBWR1MCHR1NPSR1ALDH1A1CYP1A2
SCHEMBL4191858 0.83 PTGS2 (0.64) NPBWR1MCHR1PTGS1PTGS2NPSR1
SCHEMBL27555439 0.82 NPBWR1 (0.45) NPBWR1MCHR1SMN1; SMN2
SCHEMBL27522818 0.81 NPC1 (0.47) NPBWR1MCHR1PTGS1PTGS2ALDH1A1
SCHEMBL27471548 0.81 SMN1; SMN2 (0.52) NPBWR1MCHR1NPSR1ALDH1A1CYP3A4

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
CN-1167687-C Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ���Ͽع����޹�˾ 2004-09-22 CN disclosed