SCHEMBL9796331

SCHEMBL9796331

CC(=O)Nc1cc(S(N)(=O)=O)ccc1C

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.68
HTT P42858 1/20 0.68
CA2 P00918 10/20 0.67
CA1 P00915 9/20 0.67
CA9 Q16790 9/20 0.67
CA12 O43570 5/20 0.63
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
ALDH1A1 P00352 4/20 0.51
MAPT P10636 1/20 0.51
BLM P54132 1/20 0.51
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.49

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
SCHEMBL2639424 0.87 CA1 (0.71) POLBHTTCA2CA1CA9
SCHEMBL9463617 0.85 CA1 (0.69) CA2CA1CA9CA12ALDH1A1
SCHEMBL1972668 0.83 ALDH1A1 (0.50) POLBHTTCA2CA1CA9
SCHEMBL13556569 0.83 ALDH1A1 (0.53) POLBHTTCA2CA1CA9
SCHEMBL21102719 0.83 POLB (0.63) POLBHTTCA2CA1CA9
SCHEMBL21101932 0.81 POLB (0.58) POLBHTTCA2CA1CA9
SCHEMBL18792938 0.80 CA1 (0.74) CA2CA1CA9CA12MAPT
SCHEMBL30629806 0.80 CA1 (0.61) HTTCA2CA1CA9CA12
SCHEMBL11142183 0.80 CA1 (0.61) HTTCA2CA1CA9CA12
SCHEMBL13556572 0.80 MEN1 (0.72) 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-4990523-A Treatment of chronic inflammatory joint disease with arylsulfonamides A. H. ROBINS COMPANY, INCORPORATED (US) 1991-02-05 US disclosed