SCHEMBL8770171

SCHEMBL8770171

NS(=O)(=O)c1cccc(-c2ccccc2)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.45
STAT3 P40763 1/20 0.42
PTGES2 Q9H7Z7 3/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 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
SCHEMBL7696386 0.90 SCN9A (0.40) SCN9ASTAT3PTGES2MEN1KMT2A
SCHEMBL8770175 0.88 SCN9A (0.42) SCN9ASTAT3PTGES2CA1CA2
SCHEMBL6917671 0.84 FABP4 (0.44) STAT3PTGES2CA1CA2CA5A
SCHEMBL7696390 0.82 STAT3 (0.39) SCN9ASTAT3PTGES2CA1CA2
SCHEMBL8662997 0.81 PTGES2 (0.51) PTGES2
SCHEMBL8661463 0.81 PTGES2 (0.39) SCN9ASTAT3PTGES2CA1CA2
SCHEMBL8657585 0.81 PTGES2 (0.41) STAT3PTGES2CA1CA2CA5A
SCHEMBL8663230 0.81 F10 (0.41) PTGES2
SCHEMBL6111772 0.80 PDK2 (0.42) SCN9ASTAT3PTGES2CA1CA2
SCHEMBL8662840 0.80 PTGES2 (0.38) STAT3PTGES2CA1CA2CA5A

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