SCHEMBL20005001

SCHEMBL20005001

CN(C)c1ccc(C#Cc2ccccc(-c3ccsc3)nc[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SNCA P37840 11/20 0.56
MAPT P10636 6/20 0.40
ADK P55263 8/20 0.37
APP P05067 1/20 0.33

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
SCHEMBL22537667 0.86 SNCA (0.59) SNCAMAPTADKAPP
SCHEMBL22537615 0.83 SNCA (0.56) SNCAMAPTADKAPP
SCHEMBL22537823 0.79 SNCA (0.59) SNCAMAPTADKAPP
SCHEMBL22537780 0.75 SNCA (0.49) SNCAMAPTADKAPP
SCHEMBL20004997 0.72 SNCA (1.00) SNCAMAPTADKAPP
SCHEMBL22537866 0.66 SNCA (0.48) SNCAMAPTADK
SCHEMBL2555531 0.62 APP (0.57) SNCAMAPTADKAPP
SCHEMBL22537806 0.62 SNCA (0.52) SNCAMAPT
SCHEMBL770159 0.62 ALDH1A1 (0.65) SNCAMAPTADKAPP
SCHEMBL10300053 0.62 ALDH1A1 (0.65) SNCAMAPTADKAPP

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-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed