SCHEMBL4610069

SCHEMBL4610069

CC(C)(O)c1c(-c2ccccc2)cccc1S(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.41
SCN9A Q15858 2/20 0.41
CA1 P00915 9/20 0.40
CA2 P00918 9/20 0.40
CA9 Q16790 8/20 0.40
CA12 O43570 6/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CYP2C9 P11712 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
PTGS2 P35354 1/20 0.39
CDK2 P24941 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.38
CDK8 P49336 1/20 0.38
CDK5 Q00535 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL1069769 0.82 PTGES2 (0.42) STAT3SCN9ACA1CA2CA9
SCHEMBL48885 0.77 CA2 (0.52) SCN9ACA1CA2CA9CA12
Acetic Acid SCHEMBL6695169 0.76 SCN9A (0.50) SCN9ACA1CA2CA9CA12
SCHEMBL2896796 0.76 LRRK2 (0.51) STAT3CA1CA2CA9CA12
Hydrochloric Acid SCHEMBL6399557 0.75 CA2 (0.50) SCN9ACA1CA2CA9CA12
Methane SCHEMBL27503773 0.75 CA2 (0.50) SCN9ACA1CA2CA9CA12
SCHEMBL4610078 0.74 STAT3 (0.41) STAT3CA1CA2CA9CA12
SCHEMBL21617314 0.74 CA2 (0.50) STAT3CA1CA2CA9CA12
SCHEMBL1337562 0.74 PDCD1 (0.39) CA2CYP2C9CDK8CDK5CLK4
SCHEMBL184009 0.74 CA2 (0.46) STAT3CA1CA2CA9CA12

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-1907357-A1 ANILINE SULFONAMIDE DERIVATIVES AND THEIR USES Amgen Inc. (US) 2008-04-09 EP disclosed
WO-2007013929-A1 ANILINE SULFONAMIDE DERIVATIVES AND THEIR USES AMGEN INC. (US) 2007-02-01 WO disclosed