SCHEMBL6917671

SCHEMBL6917671

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.44
PTGES2 Q9H7Z7 5/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA2 P00918 9/20 0.41
CA1 P00915 8/20 0.41
CA9 Q16790 5/20 0.41
CA5A P35218 3/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CA12 O43570 3/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CYP2C9 P11712 1/20 0.40
STAT3 P40763 1/20 0.39

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
SCHEMBL8770175 0.88 SCN9A (0.42) FABP4PTGES2MEN1KMT2ACA2
SCHEMBL8770178 0.87 CA2 (0.41) FABP4PTGES2CA2CA1CA9
SCHEMBL8770171 0.84 SCN9A (0.45) PTGES2MEN1KMT2ACA2CA1
SCHEMBL7696390 0.84 STAT3 (0.39) FABP4PTGES2MEN1KMT2ACA2
SCHEMBL4610078 0.82 STAT3 (0.41) PTGES2CA2CA1CA9CA5A
SCHEMBL27895889 0.82 CA2 (0.52) PTGES2CA2CA1CA9CA5A
SCHEMBL3398536 0.81 PTGES2 (0.38) PTGES2MEN1KMT2ACA2CA1
SCHEMBL7696386 0.81 SCN9A (0.40) PTGES2MEN1KMT2ASTAT3
SCHEMBL8663230 0.80 F10 (0.41) FABP4PTGES2
SCHEMBL8657585 0.80 PTGES2 (0.41) PTGES2CA2CA1CA9CA5A

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
WO-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed