SCHEMBL7863776

SCHEMBL7863776

CS(=O)(=O)S(=O)(=O)c1ccc(-n2nc(C(N)=O)cc2-c2ccc(-c3ccco3)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
CHRNA7 P36544 6/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SCN9A Q15858 1/20 0.36
AOC3 Q16853 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL6512857 0.93 PTGS2 (0.40) PTGS2CHRNA7MEN1KMT2AAOC3
SCHEMBL7861205 0.84 PTGS2 (0.48) PTGS2
SCHEMBL6513187 0.84 MEN1 (0.48) MEN1KMT2AATM
SCHEMBL7863781 0.83 PTGS2 (0.55) PTGS2
SCHEMBL6516441 0.82 MALT1 (0.49) PTGS2MEN1KMT2AAOC3
SCHEMBL6517908 0.82 MALT1 (0.49) PTGS2CHRNA7MEN1KMT2AAOC3
SCHEMBL7862485 0.82 GHSR (0.37) PTGS2KDM4EALDH1A1HPGD
SCHEMBL6516327 0.81 PTGS2 (0.43) PTGS2CHRNA7AOC3
SCHEMBL6519130 0.80 CHRNA7 (0.54) PTGS2CHRNA7KDM4EALDH1A1HPGD
SCHEMBL6511614 0.78 PTGS2 (0.55) PTGS2MEN1KMT2AALDH1A1HPGD

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
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP claimed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 WO claimed