SCHEMBL27487532

SCHEMBL27487532

O=c1c(-c2ccc(F)cc2)c(-c2ccc(C[SH](=O)=O)cc2)cnn1C=Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.39
PTGS1 P23219 11/20 0.39
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL27487533 0.81 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL27469593 0.81 PTGS2 (0.55) PTGS2PTGS1ITGB1ITGA4ITGB7
SCHEMBL27469590 0.79 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL27487166 0.77 PTGS2 (0.40) PTGS2PTGS1ITGB1ITGA4ITGB7
SCHEMBL27489275 0.76 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL27470571 0.75 PTGS2 (0.40) PTGS2PTGS1ITGB1ITGA4ITGB7
SCHEMBL27522830 0.75 PTGS2 (0.46) PTGS2PTGS1ITGB1ITGA4ITGB7
SCHEMBL27471097 0.75 PTGS2 (0.43) PTGS2PTGS1ITGB1ITGA4ITGB7
SCHEMBL27486815 0.74 PTGS2 (0.44) PTGS2PTGS1ITGB1ITGA4ITGB7
SCHEMBL27489264 0.72 PTGS2 (0.42) PTGS2PTGS1MEN1LMNAKMT2A

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