SCHEMBL9830576

SCHEMBL9830576

CNCCCc1ccc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 2/20 0.42
LOX P28300 7/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL9828357 0.81 CA2 (0.54) CA2SMN1; SMN2CA1LOXCA12
SCHEMBL9829011 0.81 LOX (0.52) CA2CA1LOXCA12CA9
SCHEMBL11176779 0.81 CA2 (0.66) CA2SMN1; SMN2CA1MEN1KMT2A
SCHEMBL9829847 0.80 CA2 (0.53) CA2SMN1; SMN2CA1LOXCA12
SCHEMBL9829043 0.79 CA2 (0.46) CA2CA1LOXCA9
SCHEMBL9828579 0.78 CA2 (0.54) CA2SMN1; SMN2CA1LOXCA12
SCHEMBL9828530 0.77 CA2 (0.50) CA2SMN1; SMN2CA1LOXCA12
SCHEMBL9827924 0.76 CA2 (0.58) CA2SMN1; SMN2CA1LOXCA12
SCHEMBL9829659 0.76 CA2 (0.60) CA2CA1LOXCA12CA9
SCHEMBL10589348 0.75 CA2 (0.59) CA2CA1LOXCA12CA9

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