SCHEMBL8662873

SCHEMBL8662873

NS(=O)(=O)c1ccccc1-c1c(F)c(F)c(F)c(F)c1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.50
PTGS1 P23219 3/20 0.50
ALOX5AP P20292 4/20 0.42
FEN1 P39748 4/20 0.42
F10 P00742 4/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PTGES2 Q9H7Z7 3/20 0.39
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL8657561 0.88 PTGS1 (0.43) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8658158 0.88 PTGS2 (0.53) PTGS2PTGS1ALOX5APFEN1CA1
SCHEMBL8659726 0.88 ALOX5AP (0.46) PTGS2PTGS1ALOX5APFEN1CA1
SCHEMBL8660106 0.86 PTGS2 (0.58) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8661447 0.85 PTGS2 (0.48) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8656122 0.85 F10 (0.41) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8657428 0.85 PTGES2 (0.53) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8661401 0.84 ALOX5AP (0.49) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8661455 0.84 ALOX5AP (0.46) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8661367 0.84 PTGS2 (0.45) PTGS2PTGS1ALOX5APFEN1F10

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
US-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US disclosed