SCHEMBL9058891

SCHEMBL9058891

COCCN1Sc2sc(S(N)(=O)=O)cc2C=C1CO

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.38
CA4 P22748 2/20 0.35
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL9063305 0.84 CA2 (0.50) CA2CA4
SCHEMBL9057295 0.81 CA2 (0.37) CA2CA4
SCHEMBL9057348 0.81 CA2 (0.49) CA2CA4CA12CA1CA7
SCHEMBL9117323 0.79 CA2 (0.44) CA2CA4CA12CA1CA7
SCHEMBL9058792 0.78 CA2 (0.48) CA2CA4
SCHEMBL8950476 0.76 CA2 (0.45) CA2CA4CA12CA1CA6
SCHEMBL9058819 0.76 CA2 (0.35) CA2CA4
SCHEMBL9118189 0.76 CA2 (0.50) CA2
SCHEMBL9057291 0.75 CA2 (0.48) CA2CA4CA12CA1CA6
SCHEMBL9058849 0.74 CA2 (0.39) CA2CA4CA12CA1CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022099-A1 OPHTHALMIC COMPOSITIONS FOR TREATING GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-25 WO disclosed
WO-1995019981-A1 THIENOTHIAZINE SULFONAMIDE DERIVATIVES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS CARBONIC ANHYDRASE INHIBITORS ALCON LABORATORIES, INC. (US) 1995-07-27 WO disclosed