SCHEMBL7913938

SCHEMBL7913938

COC(C)C(=O)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.48
CA1 P00915 15/20 0.48
CA12 O43570 14/20 0.48
CA9 Q16790 13/20 0.48
CA4 P22748 1/20 0.46
CA14 Q9ULX7 1/20 0.46
STAT3 P40763 1/20 0.44
CA6 P23280 2/20 0.44
CA7 P43166 2/20 0.44
CA13 Q8N1Q1 2/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL7904017 0.85 KMT2A (0.43) KMT2A
SCHEMBL7158564 0.84 CA2 (0.53) CA2CA1CA12CA9CA4
SCHEMBL7911340 0.84 CA2 (0.46) CA2CA1CA12CA9CA4
SCHEMBL7912423 0.84 CA2 (0.46) CA2CA1CA12CA9CA4
SCHEMBL7911354 0.81 CA2 (0.50) CA2CA1CA12CA9CA4
SCHEMBL7914154 0.79 CA2 (0.46) CA2CA1CA12CA9STAT3
SCHEMBL7911333 0.78 CA2 (0.45) CA2CA1CA12CA9STAT3
SCHEMBL2300229 0.78 CA1 (0.70) CA2CA1CA12CA9CA4
SCHEMBL7917822 0.78 CA2 (0.53) CA2CA1CA12CA9CA4
SCHEMBL3347957 0.75 CA2 (0.63) CA2CA1CA12CA9CA4

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-6214882-B1 Benzenesulphonamide derivatives, preparation thereof and therapeutical uses thereof SYNTHELABO (FR) 2001-04-10 US disclosed