SCHEMBL9830075

SCHEMBL9830075

NS(=O)(=O)c1ccc(S(=O)(=O)CCCc2ccc(O)cc2)s1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.63
MGLL Q99685 2/20 0.45
SLC28A3 Q9HAS3 1/20 0.41
CA1 P00915 2/20 0.40
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
LOX P28300 1/20 0.38
CALM1 P0DP23 1/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 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
SCHEMBL9829645 0.82 CA2 (0.55) CA2CA1CALM1CA12
SCHEMBL10373236 0.81 CA2 (0.56) CA2CA1LOXCA12
SCHEMBL9828407 0.79 CA2 (0.60) CA2LOX
SCHEMBL10372094 0.78 CA2 (1.00) CA2LOX
SCHEMBL10372360 0.74 CA2 (1.00) CA2CA1LOXCA12CA7
Sulfuric Acid SCHEMBL10850211 0.73 CA2 (0.88) CA2LOX
SCHEMBL5150971 0.70 MGLL (0.59) CA2MGLLSLC28A3IGF1RALOX15
SCHEMBL10371658 0.70 CA2 (1.00) CA2CA1LOXCA12CA7
SCHEMBL9831469 0.69 CA2 (0.63) CA2CA1LOXCA12CA7
SCHEMBL9768512 0.69 MGLL (0.50) CA2MGLLIGF1RALOX15

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