SCHEMBL9828431

SCHEMBL9828431

CC(O)c1cc(S(N)(=O)=O)sc1S(=O)(=O)c1ccc(O)c(CN(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.64
SLC6A4 P31645 6/20 0.37
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
G6PD P11413 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9829067 0.84 CA2 (0.70) CA2SLC6A4SLC6A3SLC6A2POLB
SCHEMBL9830133 0.81 CA2 (0.49) CA2GAA
SCHEMBL9827904 0.78 CA2 (1.00) CA2SLC6A4SLC6A3SLC6A2POLB
Hydrochloric Acid SCHEMBL29426319 0.77 CA2 (0.97) CA2SLC6A4SLC6A3SLC6A2POLB
SCHEMBL9829756 0.77 CA2 (0.48) CA2SLC6A4SLC6A2POLBKDM4E
SCHEMBL9828921 0.75 CA2 (0.52) CA2MEN1ALDH1A1GAAKMT2A
SCHEMBL10387650 0.71 CA2 (0.40) CA2
SCHEMBL10388257 0.71 CA2 (0.38) CA2ALDH1A1
SCHEMBL9831048 0.68 CA2 (0.43) CA2
Hydrochloric Acid SCHEMBL7572821 0.68 CA2 (0.77) CA2POLBGAAMAPT

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