SCHEMBL20005146

SCHEMBL20005146

Cc1ccc(C#Cc2cc3c([nH]2)=NCCC=3)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SNCA P37840 8/20 0.36
MAPT P10636 5/20 0.36
GRM5 P41594 2/20 0.35
FFAR1 O14842 1/20 0.34
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL21147267 0.86 SNCA (0.51) SNCAMAPT
SCHEMBL20004453 0.86 SNCA (0.36) SNCAMAPTGRM5
SCHEMBL21147086 0.85 GRM5 (0.41) SNCAMAPTGRM5FFAR1
SCHEMBL20004555 0.85 APP (0.39) SNCAMAPT
SCHEMBL20004515 0.79 APP (0.38) SNCAMAPT
SCHEMBL20004527 0.79 SNCA (0.37) SNCAMAPT
SCHEMBL22537542 0.79 SNCA (0.39) SNCAMAPT
SCHEMBL20005013 0.77 GRM5 (0.40) GRM5CA12CA1CA2CA9
SCHEMBL21147289 0.77 PIK3CA (0.38) FFAR1
SCHEMBL22537754 0.77 SNCA (0.52) SNCAMAPT

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