SCHEMBL8770175

SCHEMBL8770175

NS(=O)(=O)c1cccc(-c2ccccc2C(F)(F)F)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.42
STAT3 P40763 1/20 0.42
PTGES2 Q9H7Z7 3/20 0.40
CA2 P00918 6/20 0.39
CA1 P00915 5/20 0.39
CA5A P35218 3/20 0.39
CA5B Q9Y2D0 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 1/20 0.38
FABP4 P15090 1/20 0.38
CA9 Q16790 3/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL7696390 0.90 STAT3 (0.39) SCN9ASTAT3PTGES2CA2CA1
SCHEMBL8770171 0.88 SCN9A (0.45) SCN9ASTAT3PTGES2CA2CA1
SCHEMBL6917671 0.88 FABP4 (0.44) STAT3PTGES2CA2CA1CA5A
SCHEMBL8661463 0.83 PTGES2 (0.39) SCN9ASTAT3PTGES2CA2CA1
SCHEMBL8657585 0.83 PTGES2 (0.41) STAT3PTGES2CA2CA1CA5A
SCHEMBL8663230 0.83 F10 (0.41) PTGES2FABP4
SCHEMBL2452803 0.82 SCN9A (0.48) SCN9APTGES2CA2CA1CA5A
SCHEMBL8662840 0.82 PTGES2 (0.38) STAT3PTGES2CA2CA1CA5A
SCHEMBL7696386 0.82 SCN9A (0.40) SCN9ASTAT3PTGES2MEN1KMT2A
SCHEMBL8662997 0.81 PTGES2 (0.51) PTGES2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794942-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-09-17 EP disclosed
WO-1996016934-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-06-06 WO disclosed