SCHEMBL20937448

SCHEMBL20937448

CC1(S)C=Cc2cccnc2C=C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL18572160 0.85 CA12 (0.38) CA12CA1CA2CA9
SCHEMBL23136584 0.79 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL22679765 0.79 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL21099442 0.75 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL18572159 0.73 CA12 (0.35) CA12CA1CA2CA9
SCHEMBL3261185 0.73
SCHEMBL30008586 0.71 L3MBTL1 (0.35) CA12CA1CA2CA9
SCHEMBL1648797 0.67 CA12 (0.42) CA12CA1CA2CA9
SCHEMBL1648800 0.67 CA12 (0.42) CA12CA1CA2CA9
Iodide SCHEMBL3908349 0.66 CA12 (0.41) CA12CA1CA2CA9

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-2019079783-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2019-04-25 WO disclosed