SCHEMBL9522402

SCHEMBL9522402

COc1ccc(C2CC(O)c3cc(S(N)(=O)=O)sc3S2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.46
CA1 P00915 4/20 0.36
CA9 Q16790 3/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL10538875 0.77 CA2 (0.43) CA2CA1CA9CA12CA7
SCHEMBL3311384 0.76 CA2 (0.58) CA2CA1CA9CA12CA7
SCHEMBL9523123 0.76 CA2 (0.43) CA2CA1CA9CA12CA7
SCHEMBL9522416 0.76 CA2 (0.48) CA2CA1CA9CA12CA7
SCHEMBL9739612 0.70 CA2 (0.51) CA2CA1CA9CA12CA7
SCHEMBL10537856 0.68 CA2 (0.44) CA2CA1CA9CA12
Hydrochloric Acid SCHEMBL10538998 0.67 CA2 (0.59) CA2CA1CA9CA12CA7
SCHEMBL678716 0.66 CA2 (0.50) CA2CA1CA9CA12CA7
SCHEMBL10538007 0.66 CA2 (0.57) CA2
SCHEMBL10542222 0.65 CA2 (0.47) CA2CA1CA9CA12CA7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296879-B1 SUBSTITUTED AROMATIC SULFONAMIDES AS ANTIGLAUCOMA AGENTS MERCK & CO. INC. (US) 1993-03-17 EP disclosed
US-4863922-A Substituted aromatic sulfonamides as antiglaucoma agents, compositions and use MERCK & CO., INC. (US) 1989-09-05 US disclosed
US-4824968-A REMOVING HYDROXYL GROUP WITH SODIUM IODIDE AND DICHLORODIMETHYLSILANE IN ACETONITRILE MERCK & CO., INC. (US) 1989-04-25 US disclosed
US-4820848-A Substituted aromatic sulfonamides as antiglaucoma agents MERCK & CO., INC. (US) 1989-04-11 US disclosed
US-4797413-A Thieno thiopyran sulfonamide derivatives, pharmaceutical compositions and use MERCK & CO., INC. (US) 1989-01-10 US disclosed
EP-0296879-A1 Substituted aromatic sulfonamides as antiglaucoma agents MERCK & CO. INC. (US) 1988-12-28 EP disclosed