SCHEMBL8661105

SCHEMBL8661105

NS(=O)(=O)c1ccccc1-c1c(F)c(F)c(F)c(F)c1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.48
FEN1 P39748 7/20 0.48
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 1/20 0.42
PTGS2 P35354 4/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
PTGS1 P23219 3/20 0.38
F10 P00742 3/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 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
SCHEMBL8661455 0.91 ALOX5AP (0.46) ALOX5APFEN1CA1CA2CA9
SCHEMBL8657869 0.90 ALOX5AP (0.45) ALOX5APFEN1CA1CA2CA9
SCHEMBL8661401 0.88 ALOX5AP (0.49) ALOX5APFEN1PTGS2PTGS1F10
SCHEMBL8660185 0.88 PTGES2 (0.44) ALOX5APFEN1CA1CA2CA9
SCHEMBL8661060 0.88 ALOX5AP (0.44) ALOX5APFEN1CA1CA2CA9
SCHEMBL8657561 0.87 PTGS1 (0.43) ALOX5APFEN1CA1CA2PTGS2
SCHEMBL8660193 0.86 PTGS2 (0.44) ALOX5APFEN1PTGS2PTGES2PTGS1
SCHEMBL8659726 0.86 ALOX5AP (0.46) ALOX5APFEN1CA1CA2CA9
SCHEMBL8663491 0.85 ALOX5AP (0.41) ALOX5APFEN1CA1CA2CA9
SCHEMBL8660480 0.85 ALOX5AP (0.41) ALOX5APFEN1CA1CA2CA9

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