SCHEMBL8791971

SCHEMBL8791971

CCCC1(COC)CC(=O)c2cc(S(N)(=O)=O)sc2S1(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.44
CA4 P22748 3/20 0.35
CA1 P00915 3/20 0.35
CA12 O43570 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA13 Q8N1Q1 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
LMNA P02545 2/20 0.35
CA3 P07451 1/20 0.34
AR P10275 1/20 0.34
TSHR P16473 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
SCHEMBL8793313 0.77 CA2 (0.46) CA2CA4CA1CA12CA6
Hydrochloric Acid SCHEMBL8793081 0.77 CA2 (0.47) CA2CA4CA1CA12CA6
SCHEMBL8793714 0.75
Hydrochloric Acid SCHEMBL8793296 0.74 CA2 (0.56) CA2CA4CA1CA12CA6
SCHEMBL9711076 0.70 CA2 (0.40) CA2CA4CA1CA12CA6
Hydrochloric Acid SCHEMBL9459004 0.69 CA2 (0.39) CA2CA4CA1CA12CA6
SCHEMBL9597084 0.65 CA2 (0.53) CA2CA4CA1CA12CA6
SCHEMBL3923897 0.65 CA2 (0.51) CA2CA4CA1CA12CA6
SCHEMBL8870862 0.64 CA2 (0.62) CA2CA4CA1CA12CA6
SCHEMBL8794012 0.64 CA2 (0.35) CA2CA4

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-0452151-B1 Substituted aromatic sulfonamides as antiglaucoma agents MERCK & CO INC (US) 1997-07-16 EP disclosed
US-5308863-A Carbonic anhydrase inhibitors MERCK & CO., INC. (US) 1994-05-03 US disclosed
EP-0452151-A1 Substituted aromatic sulfonamides as antiglaucoma agents MERCK & CO. INC. (US) 1991-10-16 EP disclosed