SCHEMBL27488606

SCHEMBL27488606

O=c1c(-c2ccc(F)cc2)c(-c2ccc(C[SH](=O)=O)cc2)cnn1Cc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.59
PTGS1 P23219 13/20 0.59
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MITF O75030 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL27469590 0.89 PTGS2 (0.58) PTGS2PTGS1PKMMITFHTT
SCHEMBL27489275 0.89 PTGS2 (0.51) PTGS2PTGS1PKMMITFHTT
SCHEMBL27487892 0.89 PTGS2 (0.48) PTGS2PTGS1PKMMITFHTT
SCHEMBL27487170 0.84 PTGS2 (0.47) PTGS2PTGS1PKMMITFHTT
SCHEMBL27487165 0.83 PTGS2 (0.47) PTGS2PTGS1SMN1; SMN2GRIN1GRIN2B
SCHEMBL4191401 0.83 PTGS2 (0.85) PTGS2PTGS1
SCHEMBL27472003 0.82 PTGS2 (0.48) PTGS2PTGS1PKMMITFHTT
SCHEMBL27488240 0.81 PTGS2 (0.45) PTGS2PTGS1SMN1; SMN2
SCHEMBL27486811 0.81 PTGS2 (0.46) PTGS2PTGS1PKMMITFHTT
SCHEMBL27489267 0.80 PTGS2 (0.59) PTGS2PTGS1SMN1; SMN2HTTNPSR1

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