SCHEMBL9828245

SCHEMBL9828245

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.49
LOX P28300 7/20 0.41
LOXL2 Q9Y4K0 1/20 0.38
CA1 P00915 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL9830819 0.78 CA2 (0.67) CA2LOXLOXL2CA1CA12
SCHEMBL9827924 0.74 CA2 (0.58) CA2LOXLOXL2CA1CA12
SCHEMBL9828357 0.74 CA2 (0.54) CA2LOXLOXL2CA1CA12
SCHEMBL9828464 0.74 CA2 (0.54) CA2LOXLOXL2CA1CA12
SCHEMBL10589348 0.73 CA2 (0.59) CA2LOXLOXL2CA1CA12
SCHEMBL9829847 0.73 CA2 (0.53) CA2LOXCA1CA12
SCHEMBL9829011 0.71 LOX (0.52) CA2LOXCA1CA12CA9
SCHEMBL9829659 0.71 CA2 (0.60) CA2LOXCA1CA12CA9
SCHEMBL9828663 0.71 CA2 (0.63) CA2LOXLOXL2CA1CA12
SCHEMBL9830450 0.70 CA2 (0.65) CA2LOXCA1CA12CA9

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