SCHEMBL9537737

SCHEMBL9537737

CNCc1ccc(S(N)(=O)=O)s1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.58
PRMT6 Q96LA8 1/20 0.50
LOX P28300 3/20 0.41
PRKCI P41743 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL4090626 0.83 LOX (0.54) CA2PRMT6LOXPRKCILOXL2
SCHEMBL10341076 0.80 ALDH1A1 (0.51) CA2LOXCA1
SCHEMBL4648549 0.79 CA2 (0.47) CA2LOXCA12CA1CA9
SCHEMBL10167828 0.76 LOX (0.59) CA2LOXLOXL2
SCHEMBL4645445 0.76 CA2 (0.44) CA2LOXCA12CA1CA9
SCHEMBL19274688 0.75 LOX (0.65) LOXLOXL2
SCHEMBL2010210 0.75 CA2 (0.56) CA2LOXCA12CA1CA9
SCHEMBL38666703 0.75 CA2 (0.47) CA2LOXCA12CA1CA9
SCHEMBL25034033 0.74 CA2 (0.52) CA2LOXCA12CA1CA9
SCHEMBL3096712 0.74 CA2 (0.47) CA2LOXCA12CA1CA9

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-0375320-B1 Substituted thieno(3,2-B) thiophene-2-sulfonamides as topically active carbonic anhydrase inhibitors MERCK & CO INC (US) 1993-11-24 EP disclosed