SCHEMBL3930475

SCHEMBL3930475

COCCC1CC(=O)c2cc(S(N)(=O)=O)sc2S1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 20/20 0.45
CA4 P22748 1/20 0.36

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
SCHEMBL3925831 0.93 CA2 (0.43) CA2CA4
SCHEMBL9739615 0.86 CA2 (0.48) CA2CA4
SCHEMBL12495117 0.79 CA2 (0.54) CA2
SCHEMBL2351369 0.79 CA2 (0.54) CA2
SCHEMBL3923897 0.74 CA2 (0.51) CA2CA4
SCHEMBL9523123 0.71 CA2 (0.43) CA2CA4
SCHEMBL8793892 0.70 CA2 (0.39) CA2CA4
SCHEMBL18334872 0.69 CA2 (0.43) CA2CA4
SCHEMBL8793885 0.67 CA2 (0.36) CA2CA4
SCHEMBL8793878 0.67 CA2 (0.38) CA2CA4

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
WO-2009007814-A1 INHIBITORS OF CARBONIC ANHYDRASE PFIZER INC. (US) 2009-01-15 WO disclosed