SCHEMBL8662987

SCHEMBL8662987

NS(=O)(=O)c1ccccc1-c1cc2c(cc1-c1cc(F)c(Cl)c(F)c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.46
PTGS1 P23219 5/20 0.46
ALOX5AP P20292 5/20 0.42
FEN1 P39748 5/20 0.42
F10 P00742 3/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 1/20 0.37
MTOR P42345 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PTPRC P08575 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
SCHEMBL8661800 0.91 PTGS2 (0.47) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8661262 0.89 PTGS2 (0.49) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8656159 0.89 PTGS2 (0.43) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8657988 0.89 PTGS2 (0.45) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8661240 0.89 PTGS2 (0.42) PTGS2PTGS1F10CA12CA2
SCHEMBL8663553 0.88 PTGS2 (0.55) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8660156 0.87 PTGS2 (0.43) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8658040 0.87 PTGS2 (0.45) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8657920 0.87 PTGS2 (0.44) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8659420 0.87 PTGS2 (0.55) 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