SCHEMBL9828530

SCHEMBL9828530

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.50
LOX P28300 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 3/20 0.40
ALOX5 P09917 1/20 0.39
CA12 O43570 2/20 0.39
CA4 P22748 1/20 0.39
TSHR P16473 1/20 0.39
CA9 Q16790 1/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9828579 0.85 CA2 (0.54) CA2LOXSMN1; SMN2CA1CA12
SCHEMBL9828464 0.85 CA2 (0.54) CA2LOXCA1CA12TSHR
SCHEMBL9828357 0.82 CA2 (0.54) CA2LOXSMN1; SMN2CA1CA12
SCHEMBL9829847 0.81 CA2 (0.53) CA2LOXSMN1; SMN2CA1CA12
SCHEMBL9830450 0.79 CA2 (0.65) CA2LOXCA1CA12CA4
SCHEMBL9829043 0.78 CA2 (0.46) CA2LOXCA1TSHRCA9
SCHEMBL9830576 0.77 CA2 (0.46) CA2LOXSMN1; SMN2CA1CA12
SCHEMBL9830819 0.76 CA2 (0.67) CA2LOXCA1CA12CA9
SCHEMBL10589348 0.74 CA2 (0.59) CA2LOXCA1CA12CA4
SCHEMBL9830538 0.73 CA2 (0.49) CA2LOXSMN1; SMN2CA1CA12

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