SCHEMBL27487530

SCHEMBL27487530

O=c1c(-c2ccc(F)cc2)c(-c2ccc(C[SH](=O)=O)cc2)cnn1-c1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.39
PTGS1 P23219 12/20 0.39
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
ITGB7 P26010 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL27469593 0.84 PTGS2 (0.55) PTGS2PTGS1ITGB1ITGA4ITGB7
SCHEMBL27472003 0.83 PTGS2 (0.48) PTGS2PTGS1HTTRAB9A
SCHEMBL27487526 0.83 CYP1A2 (0.47) PTGS2PTGS1ITGB1ITGA4ITGB7
SCHEMBL27489270 0.83 PTGS2 (0.42) PTGS2PTGS1ITGB1ITGA4ITGB7
SCHEMBL27488603 0.83 PTGS2 (0.42) PTGS2PTGS1ITGB1ITGA4ITGB7
SCHEMBL27489264 0.83 PTGS2 (0.42) PTGS2PTGS1SMN1; SMN2HTTRAB9A
SCHEMBL27487893 0.83 CYP1A2 (0.47) PTGS2PTGS1ITGB1ITGA4ITGB7
SCHEMBL27486815 0.82 PTGS2 (0.44) PTGS2PTGS1ITGB1ITGA4ITGB7
SCHEMBL4181455 0.81 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL27487171 0.81 PTGS2 (0.47) PTGS2PTGS1ITGB1ITGA4ITGB7

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