SCHEMBL9831048

SCHEMBL9831048

CCNC(C)c1cc(S(N)(=O)=O)sc1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.43
CA1 P00915 4/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
RAPGEF4 Q8WZA2 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
SCHEMBL9828296 0.86 CA2 (0.47) CA2CA1CA12CA9
SCHEMBL9830133 0.83 CA2 (0.49) CA2CA1CA12CA9CA7
SCHEMBL10387660 0.80 CA2 (0.39) CA2CA1CA12CA9CA7
SCHEMBL10388542 0.80 CA2 (0.39) CA2CA1CA12CA9CA7
SCHEMBL10649624 0.74 CA2 (0.43) CA2CA1CA12CA9
SCHEMBL9828452 0.74 CA2 (0.54) CA2CA1CA12CA9CA7
SCHEMBL9829741 0.72 CNR1 (0.53) CA2
SCHEMBL9828921 0.70 CA2 (0.52) CA2CA1CA12CA9CA7
SCHEMBL9828431 0.68 CA2 (0.64) CA2
SCHEMBL10388046 0.67 CA2 (0.38) CA2CA1CA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295049-B1 THIOPHENE SULFONAMIDE ANTIGLAUCOMA AGENTS MERCK & CO. INC. (US) 1991-10-09 EP disclosed
US-4847289-A Thiophene sulfonamide antiglaucoma agents MERCK & CO., INC. (US) 1989-07-11 US disclosed
EP-0295049-A2 Thiophene sulfonamide antiglaucoma agents MERCK & CO. INC. (US) 1988-12-14 EP disclosed