SCHEMBL9683840

SCHEMBL9683840

CCOC(C)C(C(=O)N(OC)C(C)OC)C1C(=O)Nc2cc(S(N)(=O)=O)sc2S1(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.47
CA1 P00915 6/20 0.37
CA4 P22748 5/20 0.33
CA12 O43570 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL9683134 0.74 CA2 (0.51) CA2CA1CA4CA12CA6
SCHEMBL7520641 0.74 CA2 (0.62) CA2CA1CA4
SCHEMBL9683836 0.73 CA2 (0.57) CA2CA1CA4CA12CA6
SCHEMBL9682085 0.71 CA2 (0.61) CA2CA1CA4
SCHEMBL9683786 0.65 CA2 (0.61) CA2CA1
SCHEMBL9682131 0.65 CA2 (0.61) CA2CA1CA4CA12CA6
SCHEMBL7520645 0.64 CA2 (1.00) CA2CA4
SCHEMBL9682638 0.63 CA2 (0.58) CA2CA1CA4CA12CA6
SCHEMBL9682117 0.61 CA2 (0.65) CA2CA1CA4
Hydrochloric Acid SCHEMBL9683925 0.61 CA2 (0.64) CA2CA1CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0479480-A2 Substituted thieno(2,3-B)(1,4)thiazine-6-sulfonamides as antiglaucoma agents MERCK & CO. INC. (US) 1992-04-08 EP disclosed