SCHEMBL10340984

SCHEMBL10340984

NS(=O)(=O)c1ccc(CCCO)s1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.60
LOX P28300 2/20 0.46
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL10341122 0.95 CA2 (0.61) CA2LOX
SCHEMBL10340958 0.93 CA2 (0.59) CA2LOX
SCHEMBL10340905 0.89 CA2 (0.58) CA2LOXCA12CA1CA9
SCHEMBL23391726 0.83 CA2 (0.47) CA2LOXCA12CA1CA9
Hydrochloric Acid SCHEMBL10341115 0.81 CA2 (0.46) CA2LOXCA12CA1CA9
SCHEMBL2010210 0.81 CA2 (0.56) CA2LOXCA12CA1CA9
SCHEMBL8632622 0.81 CA2 (0.49) CA2LOX
SCHEMBL10721204 0.80 CA2 (0.46) CA2LOXCA1CA4CA7
SCHEMBL27366293 0.79 CA2 (0.47) CA2LOX
SCHEMBL10341129 0.79 ALDH1A1 (0.49) CA2LOXCA1CA4CA7

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-0221806-B1 SUBSTITUTED THIOPHENE-2-SULFANOMIDE AND ANTIGLAUCOMA COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1990-01-10 EP disclosed
EP-0221806-A1 Substituted thiophene-2-sulfanomide and antiglaucoma compositions containing them MERCK & CO. INC. (US) 1987-05-13 EP disclosed
US-4665090-A TOPICAL ADMINISTRATION MERCK & CO., INC. (US) 1987-05-12 US disclosed