SCHEMBL7931552

SCHEMBL7931552

NCCCC(=O)Oc1ccc2nc(S(N)(=O)=O)sc2c1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 20/20 0.80
CA1 P00915 7/20 0.67
CA4 P22748 2/20 0.64

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
SCHEMBL10973390 0.92 CA2 (0.86) CA2CA1CA4
SCHEMBL10973809 0.89 CA2 (1.00) CA2CA1
SCHEMBL7934088 0.88 CA2 (1.00) CA2CA1
SCHEMBL7933389 0.88 CA2 (1.00) CA2CA1
SCHEMBL7931549 0.87 CA2 (1.00) CA2CA1
SCHEMBL10973392 0.87 CA2 (0.79) CA2CA1CA4
SCHEMBL7924856 0.84 CA2 (0.82) CA2CA1CA4
SCHEMBL11118371 0.82 CA2 (0.80) CA2CA1CA4
SCHEMBL7937318 0.82 CA2 (0.86) CA2CA1CA4
SCHEMBL7934098 0.81 CA2 (0.77) CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313155-B1 Composition and method for treating macular disorders BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2001-11-06 US claimed
EP-0070239-A1 Benzothiazolesulfonamide derivatives, their preparation and ophthalmic compositions containing said derivatives MERCK & CO. INC. (US) 1983-01-19 EP claimed
EP-0070239-B1 BENZOTHIAZOLESULFONAMIDE DERIVATIVES, THEIR PREPARATION AND OPHTHALMIC COMPOSITIONS CONTAINING SAID DERIVATIVES MERCK & CO. INC. (US) 1985-06-05 EP disclosed
US-4416890-A GLAUCOMA TREATMENT MERCK & CO., INC. (US) 1983-11-22 US disclosed
EP-0070239-A1 Benzothiazolesulfonamide derivatives, their preparation and ophthalmic compositions containing said derivatives MERCK & CO. INC. (US) 1983-01-19 EP disclosed