SCHEMBL7914249

SCHEMBL7914249

Cc1ccc(S(N)(=O)=O)cc1C(CN)OS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
CA2 P00918 11/20 0.37
CA1 P00915 10/20 0.37
CA9 Q16790 8/20 0.37
CA12 O43570 7/20 0.37
CA7 P43166 3/20 0.37
MAPT P10636 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CA3 P07451 1/20 0.36
SLC6A4 P31645 2/20 0.34
CA4 P22748 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
LRRK2 Q5S007 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL7917803 0.86 CA2 (0.41) CA2CA1CA9CA12CA7
SCHEMBL7904035 0.84 CA2 (0.41) CA2CA1CA9CA12CA7
SCHEMBL7903979 0.83 GAA (0.43) CA2CA1CA9CA12CA7
SCHEMBL7914247 0.77 POLB (0.46) POLBHTTCA2CA1CA9
SCHEMBL15077326 0.73 HTT (0.50) POLBHTTCA2CA1CA9
SCHEMBL7137336 0.70 HTT (0.48) POLBHTTCA2CA1CA9
SCHEMBL7913958 0.69 CA1 (0.41) CA2CA1CA9CA12CA7
SCHEMBL7911297 0.69 POLB (0.43) POLBHTTCA2CA1CA9
SCHEMBL7914221 0.68 KMT2A (0.40) CA2CA1CA9CA12MAPT
SCHEMBL207236 0.68 CA2 (0.53) POLBHTTCA2CA1CA9

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