SCHEMBL9828523

SCHEMBL9828523

CC(C)CNCc1ccc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.73
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL9828725 0.85 CA2 (0.76) CA2
SCHEMBL9829292 0.85 CA2 (1.00) CA2
Hydrochloric Acid SCHEMBL9830371 0.84 CA2 (1.00) CA2
SCHEMBL9829659 0.83 CA2 (0.60) CA2
SCHEMBL9829489 0.82 CA2 (0.63) CA2
SCHEMBL9827924 0.75 CA2 (0.58) CA2
SCHEMBL9829011 0.75 LOX (0.52) CA2
SCHEMBL10589348 0.74 CA2 (0.59) CA2
SCHEMBL9830819 0.73 CA2 (0.67) CA2
SCHEMBL22623436 0.72 CA2 (0.53) CA2OPRM1OPRK1KCNH2

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