SCHEMBL8657376

SCHEMBL8657376

NS(=O)(=O)c1ccccc1-c1ccccc1-c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.53
ABCB1 P08183 2/20 0.53
BCR P11274 2/20 0.53
F10 P00742 2/20 0.47
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
STAT3 P40763 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CYP2C9 P11712 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL6548544 0.93 F10 (0.52) ABL1ABCB1BCRF10PTGS1
SCHEMBL8659843 0.85 CA2 (0.48) PTGS1PTGS2STAT3CA1CA2
SCHEMBL8661306 0.84 CA1 (0.48) F10PTGS1PTGS2CA1CA2
SCHEMBL8660182 0.83 PTGES2 (0.50) F10PTGS1PTGS2CA1CA2
SCHEMBL8350056 0.82 CA1 (0.54) PTGS1PTGS2STAT3CA1CA2
SCHEMBL8347239 0.82 CA2 (0.58) STAT3CA1CA2CA12CA9
SCHEMBL8661275 0.82 PTGS2 (0.69) F10PTGS1PTGS2CA1CA2
SCHEMBL8659816 0.82 CA2 (0.50) F10PTGS1PTGS2CA1CA2
SCHEMBL8657273 0.82 PTGS2 (0.69) PTGS1PTGS2CA1CA2CA12
SCHEMBL6732192 0.81 CA2 (0.69) ABL1ABCB1BCRPTGS1PTGS2

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