SCHEMBL8656138

SCHEMBL8656138

Cc1cc(-c2cc3c(cc2-c2ccccc2S(N)(=O)=O)OCO3)cc(C)c1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.43
PTGS1 P23219 7/20 0.43
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
F10 P00742 1/20 0.39
ALOX5AP P20292 5/20 0.37
FEN1 P39748 5/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
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
SCHEMBL8661512 0.90 POLB (0.42) PTGS2PTGS1POLBMAPTNPSR1
SCHEMBL8659269 0.88 PTGS2 (0.50) PTGS2PTGS1POLBMAPTNPSR1
SCHEMBL8660888 0.88 PTGS2 (0.40) PTGS2PTGS1POLBMAPTNPSR1
SCHEMBL8657988 0.88 PTGS2 (0.45) PTGS2PTGS1POLBMAPTNPSR1
SCHEMBL8661800 0.88 PTGS2 (0.47) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8656123 0.87 F10 (0.39) PTGS2PTGS1POLBMAPTNPSR1
SCHEMBL8660155 0.87 PTGS2 (0.40) PTGS2PTGS1POLBMAPTF10
SCHEMBL8659097 0.86 PTGS2 (0.44) PTGS2PTGS1POLBMAPTNPSR1
SCHEMBL8658040 0.86 PTGS2 (0.45) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8660044 0.86 PTGS2 (0.43) PTGS2PTGS1POLBMAPTNPSR1

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