SCHEMBL7903979

SCHEMBL7903979

COc1ccc(S(N)(=O)=O)cc1C(CN)OS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
PTGS2 P35354 6/20 0.42
PTGS1 P23219 5/20 0.42
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
CA12 O43570 3/20 0.40
CA4 P22748 2/20 0.39
CA7 P43166 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7913958 0.86 CA1 (0.41) GAAPTGS2PTGS1CA1CA2
SCHEMBL7914221 0.84 KMT2A (0.40) GAAPTGS2PTGS1CA1CA2
SCHEMBL7917803 0.83 CA2 (0.41) PTGS2PTGS1CA1CA2CA9
SCHEMBL7914249 0.83 POLB (0.38) PTGS2PTGS1CA1CA2CA9
SCHEMBL7904035 0.82 CA2 (0.41) PTGS2PTGS1CA1CA2CA9
SCHEMBL7914223 0.81 CA1 (0.39) GAAPTGS2PTGS1CA1CA2
SCHEMBL7903986 0.80 ADRA1A (0.60) GAAPTGS2PTGS1CA1CA2
SCHEMBL7903977 0.80 ADRA1A (0.56) GAAPTGS2PTGS1CA1CA2
SCHEMBL9092422 0.76 TSHR (0.58) GAAPTGS2PTGS1CA1CA2
SCHEMBL7139259 0.74 GAA (0.49) GAAPTGS2PTGS1CA1CA2

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