SCHEMBL9828464

SCHEMBL9828464

CN(C)C(=O)Cc1ccc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.54
LOX P28300 9/20 0.48
TSHR P16473 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
LOXL2 Q9Y4K0 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
SCHEMBL9828530 0.85 CA2 (0.50) CA2LOXTSHRCA12CA1
SCHEMBL9830538 0.83 CA2 (0.49) CA2LOXCA12CA1CA5A
SCHEMBL9830819 0.80 CA2 (0.67) CA2LOXCA12CA1CA9
SCHEMBL9830808 0.79 CA2 (0.47) CA2LOXCA12CA1CA5A
SCHEMBL10589348 0.78 CA2 (0.59) CA2LOXCA12CA1CA5A
SCHEMBL9827924 0.76 CA2 (0.58) CA2LOXCA12CA1CA5A
SCHEMBL9828357 0.76 CA2 (0.54) CA2LOXCA12CA1CA9
SCHEMBL9830450 0.75 CA2 (0.65) CA2LOXCA12CA1CA5A
SCHEMBL9829847 0.75 CA2 (0.53) CA2LOXCA12CA1
SCHEMBL9829043 0.74 CA2 (0.46) CA2LOXTSHRCA1CA9

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