SCHEMBL9830147

SCHEMBL9830147

CC(O)c1cc(S(N)(=O)=O)sc1Sc1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.40
NR1H2 P55055 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL9829393 0.86 CA2 (0.44) CA2CA12CA1CA9
SCHEMBL9829756 0.81 CA2 (0.48) CA2
SCHEMBL10387588 0.79 C1S (0.38) CA2
SCHEMBL9830133 0.75 CA2 (0.49) CA2CA12CA1CA9
SCHEMBL10388515 0.69 CA2 (0.39) CA2
SCHEMBL5173252 0.68 CA2 (0.51) CA2NR1H2CA12CA1CA9
SCHEMBL10388257 0.68 CA2 (0.38) CA2
SCHEMBL10387650 0.66 CA2 (0.40) CA2
SCHEMBL9828441 0.66 CA2 (0.50) CA2CA12CA1CA9
SCHEMBL10389344 0.65 CA2 (0.36) 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