SCHEMBL10513416

SCHEMBL10513416

CCNC1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 1.00
CA1 P00915 2/20 0.68
CA12 O43570 1/20 0.68
CA3 P07451 1/20 0.68
AR P10275 1/20 0.68
CA4 P22748 1/20 0.68
CA6 P23280 1/20 0.68
CA5A P35218 1/20 0.68
CA7 P43166 1/20 0.68
CA9 Q16790 1/20 0.68
CA13 Q8N1Q1 1/20 0.68
CA14 Q9ULX7 1/20 0.68
CA5B Q9Y2D0 1/20 0.68
LMNA P02545 1/20 0.68
TSHR P16473 1/20 0.68

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
SCHEMBL19826857 1.00 CA2 (1.00) CA2CA1CA12CA3AR
Hydrochloric Acid SCHEMBL10513807 0.90 CA2 (1.00) CA2
SCHEMBL10514131 0.89 CA2 (1.00) CA2CA1CA12CA3AR
Sezolamide SCHEMBL637480 0.89 CA2 (1.00) CA2CA1CA12CA3AR
Sezolamide SCHEMBL6086814 0.89 CA2 (1.00) CA2CA1CA12CA3AR
Sezolamide SCHEMBL9879354 0.89 CA2 (1.00) CA2CA1CA12CA3AR
Hydrochloric Acid SCHEMBL10513176 0.88 CA2 (1.00) CA2
Sezolamide SCHEMBL6085905 0.88 CA2 (1.00) CA2
Sezolamide SCHEMBL668227 0.88 CA2 (1.00) CA2
Sezolamide SCHEMBL8128967 0.87 CA2 (0.98) CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0189690-B1 SUBSTITUTED AROMATIC SULFONAMIDES, THEIR PREPARATION AND OPHTHALMIC COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1989-03-01 EP claimed
EP-3068793-B1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS CODEXIS INC (US) 2021-02-17 EP disclosed
EP-3224354-B1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS CODEXIS INC (US) 2021-01-13 EP disclosed
EP-0189690-B1 SUBSTITUTED AROMATIC SULFONAMIDES, THEIR PREPARATION AND OPHTHALMIC COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1989-03-01 EP disclosed
US-4677115-A Antiglaucoma thieno-thiopyran and thieno-thiepin sulfonamide derivatives, compositions, and method of use thereof MERCK & CO., INC. (US) 1987-06-30 US disclosed
EP-0189690-A1 Substituted aromatic sulfonamides, their preparation and ophthalmic compositions containing them MERCK & CO. INC. (US) 1986-08-06 EP disclosed