SCHEMBL9829489

SCHEMBL9829489

CC(C)CNCc1cc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 20/20 0.63
CA1 P00915 1/20 0.41

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
SCHEMBL9829437 0.87 CA2 (0.67) CA2CA1
SCHEMBL9828523 0.82 CA2 (0.73) CA2
SCHEMBL9828725 0.80 CA2 (0.76) CA2
SCHEMBL9827904 0.78 CA2 (1.00) CA2
SCHEMBL9832127 0.78 CA2 (0.61) CA2CA1
Hydrochloric Acid SCHEMBL29426319 0.77 CA2 (0.97) CA2
SCHEMBL9828539 0.76 CA2 (0.77) CA2
Hydrochloric Acid SCHEMBL7572821 0.74 CA2 (0.77) CA2
SCHEMBL10605557 0.70 CA2 (0.52) CA2CA1
SCHEMBL9829292 0.70 CA2 (1.00) CA2

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