SCHEMBL10348111

SCHEMBL10348111

Nc1ccc2sc(S(N)(=O)=O)nc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.76
CA1 P00915 8/20 0.76
CA4 P22748 5/20 0.76
CA12 O43570 3/20 0.62
CA14 Q9ULX7 3/20 0.62
CA7 P43166 2/20 0.62
CA5A P35218 3/20 0.55
CA6 P23280 2/20 0.55
CA9 Q16790 2/20 0.55
CA5B Q9Y2D0 2/20 0.55
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL9459715 0.86 CA2 (1.00) CA2CA1CA4CA12CA14
SCHEMBL14317794 0.81 CA2 (0.67) CA2CA1CA4CA12CA14
SCHEMBL564235 0.81 CA2 (1.00) CA2CA1CA4CA12CA14
SCHEMBL31452866 0.81 CA2 (0.67) CA2CA1CA4CA12CA14
SCHEMBL14299650 0.78 CA2 (0.61) CA2CA1CA4CA12CA14
SCHEMBL10913170 0.78 CA2 (0.64) CA2CA1CA4CA12CA14
SCHEMBL81178 0.77 CA2 (1.00) CA2CA1CA4CA12CA14
SCHEMBL30297744 0.77 CA2 (1.00) CA2CA1CA4CA12CA14
SCHEMBL10924391 0.76 CA2 (0.88) CA2CA1CA4CA12CA14
Fluoride SCHEMBL27730918 0.75 CA2 (0.96) CA2CA1CA4CA12CA14

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-0122831-B1 BENZOTHIAZOLE-2-SULFONAMIDE DERIVATIVES FOR THE TOPICAL TREATMENT OF ELEVATED INTRAOCULAR PRESSURE MERCK & CO. INC. (US) 1990-04-18 EP disclosed
US-4499103-A Benzothiazole-2-sulfonamide derivatives for the topical treatment of elevated intraocular pressure MERCK & CO., INC. (US) 1985-02-12 US disclosed
EP-0122831-A2 Benzothiazole-2-sulfonamide derivatives for the topical treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1984-10-24 EP disclosed