SCHEMBL10913232

SCHEMBL10913232

CC(C(=O)O)c1ccc2sc(S(N)(=O)=O)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 18/20 0.58
▸ CA1 P00915 5/20 0.49
▸ CA4 P22748 3/20 0.49
▸ CA12 O43570 2/20 0.49
▸ CA14 Q9ULX7 2/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA6 P23280 1/20 0.48
▸ CA5A P35218 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA5B Q9Y2D0 1/20 0.48
▸ AKR1C3 P42330 2/20 0.44
▸ AKR1C2 P52895 2/20 0.44

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
SCHEMBL14299650 0.85 CA2 (0.61) CA2CA1CA4CA12CA14
SCHEMBL10913249 0.84 CA2 (0.54) CA2CA1CA4CA12CA14
SCHEMBL10914045 0.82 CA2 (0.56) CA2CA1CA4CA12CA14
SCHEMBL10915438 0.79 CA2 (0.52) CA2CA1CA4CA12CA14
SCHEMBL10914588 0.78 CA2 (0.51) CA2CA1CA4CA12CA14
SCHEMBL6785212 0.75 AKR1C3 (0.48) AKR1C3AKR1C2
SCHEMBL10939891 0.75 KDM4E (0.58) AKR1C3AKR1C2
SCHEMBL7924827 0.74 CA2 (0.82) CA2CA1
SCHEMBL14317794 0.74 CA2 (0.67) CA2CA1CA4CA12CA14
SCHEMBL564235 0.74 CA2 (1.00) 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 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
Send feedback