SCHEMBL9529752

SCHEMBL9529752

COCCC(COC)NCc1csc2sc(S(N)(=O)=O)cc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.42
CA4 P22748 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL9530240 0.78 CA2 (0.66) CA2
SCHEMBL9529742 0.74 CA2 (0.60) CA2
SCHEMBL2174766 0.64 CA2 (0.45) CA2CA4
SCHEMBL10513032 0.61 CA2 (0.40) CA2CA12CA1CA9
SCHEMBL10438198 0.60 CA2 (0.67) CA2
SCHEMBL9529564 0.59 CA2 (1.00) CA2
Hydrochloric Acid SCHEMBL9670398 0.59 CA2 (0.68) CA2
Hydrochloric Acid SCHEMBL9529625 0.58 CA2 (1.00) CA2
SCHEMBL2089671 0.58 FBP1 (0.47) CA2
SCHEMBL9529980 0.58 CA2 (0.98) CA2

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-0307084-B1 Substituted thieno(2,3-b)thiophene-2-sulfonamides as antiglaucoma agents MERCK & CO INC (US) 1993-12-15 EP claimed