SCHEMBL10914588

SCHEMBL10914588

NS(=O)(=O)c1nc2cc(C(C(=O)O)C3CCCC3)ccc2s1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 20/20 0.51
▸ CA1 P00915 9/20 0.43
▸ CA4 P22748 5/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL10913232 0.78 CA2 (0.58) CA2CA1CA4CA12CA14
SCHEMBL10914045 0.76 CA2 (0.56) CA2CA1CA4CA12CA14
SCHEMBL10913249 0.75 CA2 (0.54) CA2CA1CA4CA12CA14
SCHEMBL14299650 0.73 CA2 (0.61) CA2CA1CA4CA12CA14
SCHEMBL10348742 0.71 CA2 (0.52) CA2CA1CA4CA12CA14
SCHEMBL10915438 0.71 CA2 (0.52) CA2CA1CA4CA12CA14
SCHEMBL7937329 0.71 CA2 (0.84) CA2CA1CA4
SCHEMBL564235 0.69 CA2 (1.00) CA2CA1CA4CA12CA14
SCHEMBL10913446 0.68 CA2 (0.61) CA2CA1CA4CA12CA14
SCHEMBL28324911 0.68 SLC6A3 (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0091367-B1 BENZOTHIAZOLESULFONAMIDE DERIVATIVES FOR THE TOPICAL TREATMENT OF ELEVATED INTRAOCULAR PRESSURE MERCK & CO. INC. (US) 1986-06-18 — — EP claimed
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