SCHEMBL27487523

SCHEMBL27487523

O=c1c(Oc2ccc(F)cc2)c(-c2ccc(C[SH](=O)=O)cc2)cnn1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 18/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MCHR1 Q99705 9/20 0.52
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL27472001 0.88 NPBWR1 (0.53) NPBWR1NPSR1ALDH1A1MCHR1PTGS1
SCHEMBL27489269 0.87 NPBWR1 (0.52) NPBWR1NPSR1ALDH1A1MCHR1PTGS1
SCHEMBL27522830 0.84 PTGS2 (0.46) NPBWR1NPSR1ALDH1A1MCHR1PTGS1
SCHEMBL27488950 0.84 NPBWR1 (0.40) NPBWR1NPSR1ALDH1A1MCHR1PTGS1
SCHEMBL27470076 0.83 PTGS2 (0.71) NPBWR1NPSR1MCHR1PTGS1PTGS2
SCHEMBL27487167 0.83 NPBWR1 (0.40) NPBWR1NPSR1ALDH1A1MCHR1PTGS1
SCHEMBL27547550 0.83 NPBWR1 (0.40) NPBWR1NPSR1ALDH1A1MCHR1PTGS1
SCHEMBL27486814 0.81 NPBWR1 (0.42) NPBWR1NPSR1ALDH1A1MCHR1
SCHEMBL27487895 0.81 MEN1 (0.42) NPBWR1NPSR1ALDH1A1MCHR1
SCHEMBL27488957 0.81 SMN1; SMN2 (0.40) NPBWR1NPSR1ALDH1A1MCHR1

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 2 patents. 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
CN-1277605-A Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2000-12-20 CN disclosed