SCHEMBL6811034

SCHEMBL6811034

CS(=O)(=O)c1ccc(-n2nc(OC(=O)O)cc2-c2ccc(-c3ccco3)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.39
AOC3 Q16853 1/20 0.38
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
GHSR Q92847 1/20 0.35
ALOX5 P09917 1/20 0.34
RECQL P46063 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
PTGS1 P23219 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6513187 0.86 MEN1 (0.48) MEN1KMT2A
SCHEMBL6810345 0.86 ALOX5 (0.49) PTGS2AOC3ALOX5PTGS1
SCHEMBL6512857 0.83 PTGS2 (0.40) PTGS2AOC3KDM4EMEN1KMT2A
SCHEMBL6513925 0.82 PTGS2 (0.52) PTGS2
SCHEMBL6516441 0.82 MALT1 (0.49) PTGS2AOC3MEN1KMT2APTGS1
SCHEMBL6517908 0.82 MALT1 (0.49) PTGS2AOC3MEN1KMT2A
SCHEMBL6512752 0.81 KDM5A (0.39) PTGS2KDM4EALDH1A1GHSRMAPT
SCHEMBL6519130 0.81 CHRNA7 (0.54) PTGS2KDM4EALDH1A1POLBHPGD
SCHEMBL6516327 0.81 PTGS2 (0.43) PTGS2AOC3GHSRPTGS1
SCHEMBL6519552 0.81 PTGS2 (0.57) PTGS2PTGS1

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
EP-1086097-B1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER (US) 2004-05-19 EP claimed