SCHEMBL27487526

SCHEMBL27487526

NCc1ccc(-n2ncc(-c3ccc(C[SH](=O)=O)cc3)c(-c3ccc(F)cc3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
PTGS2 P35354 12/20 0.42
PTGS1 P23219 9/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL27487893 1.00 CYP1A2 (0.47) CYP1A2PTGS2PTGS1SMN1; SMN2HTT
SCHEMBL27549346 0.91 PTGS2 (0.41) CYP1A2PTGS2PTGS1ITGB1ITGA4
SCHEMBL27488603 0.89 PTGS2 (0.42) CYP1A2PTGS2PTGS1SMN1; SMN2HTT
SCHEMBL27489264 0.89 PTGS2 (0.42) PTGS2PTGS1SMN1; SMN2HTTRAB9A
SCHEMBL27489270 0.89 PTGS2 (0.42) CYP1A2PTGS2PTGS1SMN1; SMN2HTT
SCHEMBL27469593 0.89 PTGS2 (0.55) PTGS2PTGS1SMN1; SMN2ITGB1ITGA4
SCHEMBL27549345 0.87 PTGS2 (0.43) CYP1A2PTGS2PTGS1SMN1; SMN2HTT
SCHEMBL27489265 0.86 PGR (0.46) PTGS2PTGS1SMN1; SMN2HTTITGB1
SCHEMBL27489268 0.86 PTGS2 (0.43) PTGS2PTGS1SMN1; SMN2RAB9A
SCHEMBL27486815 0.86 PTGS2 (0.44) PTGS2PTGS1SMN1; SMN2HTTITGB1

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