SCHEMBL9257712

SCHEMBL9257712

CC1=NN(CC(C)C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.38
CA4 P22748 2/20 0.34
CA1 P00915 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
AR P10275 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL9247300 0.78 CA2 (0.49) CA2CA4CA1CA12CA7
SCHEMBL9251357 0.77 CA2 (0.39) CA2CA4CA1CA12CA3
SCHEMBL9253408 0.67 CA2 (0.43) CA2CA4CA1CA12CA3
SCHEMBL9428734 0.63 CA2 (0.52) CA2
SCHEMBL9429942 0.62 CA2 (0.49) CA2CA4CA1CA12CA3
SCHEMBL9429933 0.62 CA2 (0.49) CA2CA4CA1CA12CA3
SCHEMBL9429939 0.62 CA2 (0.49) CA2CA4CA1CA12CA3
SCHEMBL8705943 0.61 CA2 (0.71) CA2CA4CA1CA12CA3
SCHEMBL9429842 0.61 CA2 (0.56) CA2
SCHEMBL9429846 0.61 CA2 (0.56) 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
US-5464831-A Treatment of glaucoma ALCON LABORATORIES, INC. (US) 1995-11-07 US disclosed