SCHEMBL9828357

SCHEMBL9828357

CN(C)CCCc1ccc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.54
LOX P28300 6/20 0.51
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.40
CA4 P22748 1/20 0.39
CA9 Q16790 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
SCHEMBL9829847 0.96 CA2 (0.53) CA2LOXSMN1; SMN2CA12CA1
SCHEMBL9830819 0.83 CA2 (0.67) CA2LOXCA12CA1LOXL2
SCHEMBL9828530 0.82 CA2 (0.50) CA2LOXSMN1; SMN2CA12CA1
SCHEMBL9830576 0.81 CA2 (0.46) CA2LOXSMN1; SMN2CA12CA1
SCHEMBL9828579 0.78 CA2 (0.54) CA2LOXSMN1; SMN2CA12CA1
SCHEMBL9827924 0.76 CA2 (0.58) CA2LOXSMN1; SMN2CA12CA1
SCHEMBL9828464 0.76 CA2 (0.54) CA2LOXCA12CA1LOXL2
SCHEMBL9829011 0.76 LOX (0.52) CA2LOXCA12CA1CA4
SCHEMBL10589348 0.75 CA2 (0.59) CA2LOXCA12CA1LOXL2
SCHEMBL9830450 0.75 CA2 (0.65) CA2LOXCA12CA1CA4

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-0295049-B1 THIOPHENE SULFONAMIDE ANTIGLAUCOMA AGENTS MERCK & CO. INC. (US) 1991-10-09 EP disclosed
US-4847289-A Thiophene sulfonamide antiglaucoma agents MERCK & CO., INC. (US) 1989-07-11 US disclosed
EP-0295049-A2 Thiophene sulfonamide antiglaucoma agents MERCK & CO. INC. (US) 1988-12-14 EP disclosed