SCHEMBL9522416

SCHEMBL9522416

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.48
CA1 P00915 3/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
AR P10275 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43

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
Hydrochloric Acid SCHEMBL10538998 0.87 CA2 (0.59) CA2CA1CA12CA3AR
SCHEMBL10542083 0.86 CA2 (0.52) CA2CA1CA12CA3AR
SCHEMBL10542222 0.84 CA2 (0.47) CA2CA1CA12CA3AR
Hydrochloric Acid SCHEMBL10538838 0.82 CA2 (0.64) CA2CA1CA12CA3AR
SCHEMBL9523575 0.81 CA2 (0.56) CA2CA1CA12CA3AR
SCHEMBL10538003 0.78 CA2 (0.50) CA2CA1CA4CA7CA9
SCHEMBL15545115 0.76 CA2 (0.73) CA2CA1CA12CA3AR
SCHEMBL15604778 0.76 CA2 (0.73) CA2CA1CA12CA3AR
SCHEMBL2348864 0.76 CA2 (0.73) CA2CA1CA12CA3AR
SCHEMBL9522402 0.76 CA2 (0.46) CA2CA1CA12CA7CA9

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