SCHEMBL7912402

SCHEMBL7912402

CC(C)Oc1ccc(S(N)(=O)=O)cc1C(O)CCl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
CA2 P00918 9/20 0.38
CA1 P00915 7/20 0.38
CA9 Q16790 6/20 0.38
CA7 P43166 3/20 0.38
GAA P10253 2/20 0.38
CA4 P22748 1/20 0.38
CDK1 P06493 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CA12 O43570 5/20 0.36
CSNK2A1 P68400 2/20 0.35
PTGS1 P23219 1/20 0.35
CA14 Q9ULX7 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7913936 0.86 GAA (0.48) CA2CA1CA9CA7GAA
SCHEMBL7911297 0.79 POLB (0.43) POLBCA2CA1CA9CA7
SCHEMBL7913948 0.78 CA2 (0.47) CA2CA1CA9CA7GAA
SCHEMBL7912319 0.77 CA2 (0.46) CA2CA1CA9CA7CA4
SCHEMBL7914152 0.76 GAA (0.46) POLBCA2CA1CA9GAA
SCHEMBL7903986 0.74 ADRA1A (0.60) CA2CA1CA9GAACA4
SCHEMBL21556096 0.73 POLB (0.46) POLBCA2CA1CA9CA7
SCHEMBL6112874 0.73 POLB (0.64) POLBCA2CA1CA9CA7
SCHEMBL7914188 0.73 GAA (0.48) POLBCA2CA1CA9GAA
SCHEMBL7903977 0.71 ADRA1A (0.56) CA2CA1CA9CA7GAA

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