SCHEMBL9829043

SCHEMBL9829043

CNC(=O)CCc1ccc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.46
LOX P28300 1/20 0.46
CA1 P00915 6/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.41
CA9 Q16790 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL9830450 0.84 CA2 (0.65) CA2LOXCA1ALDH1A1CA9
SCHEMBL9828579 0.79 CA2 (0.54) CA2LOXCA1HSD17B10
SCHEMBL9830576 0.79 CA2 (0.46) CA2LOXCA1CA9
SCHEMBL9828530 0.78 CA2 (0.50) CA2LOXCA1ALDH1A1TSHR
SCHEMBL9830808 0.77 CA2 (0.47) CA2LOXCA1ALDH1A1CA9
SCHEMBL9829011 0.76 LOX (0.52) CA2LOXCA1CA9
SCHEMBL10589348 0.76 CA2 (0.59) CA2LOXCA1CA9
SCHEMBL9830538 0.75 CA2 (0.49) CA2LOXCA1CA9
SCHEMBL9827924 0.74 CA2 (0.58) CA2LOXCA1CA9
SCHEMBL9828357 0.74 CA2 (0.54) CA2LOXCA1CA9

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