SCHEMBL20005117

SCHEMBL20005117

Cc1c(C#Cc2ccc(N(C)CCI)cc2)[nH]c2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SNCA P37840 9/20 0.49
MAPT P10636 6/20 0.49
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
GRM4 Q14833 1/20 0.32
KIT P10721 1/20 0.31

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
SCHEMBL20005141 0.89 SNCA (0.63) SNCAMAPTKDM4ESMN1; SMN2PIK3CA
SCHEMBL22537777 0.77 SNCA (0.79) SNCAMAPT
SCHEMBL20005119 0.76 SNCA (0.50) SNCAMAPTKDM4ESMN1; SMN2KIT
SCHEMBL20004443 0.75 SNCA (0.60) SNCAMAPTKDM4ESMN1; SMN2PIK3CA
SCHEMBL20005180 0.73 SNCA (0.57) SNCAMAPTKDM4ESMN1; SMN2KIT
SCHEMBL20004470 0.67 SNCA (0.81) SNCAMAPT
SCHEMBL20004553 0.66 SNCA (1.00) SNCAMAPT
SCHEMBL20005089 0.66 SNCA (0.79) SNCAMAPT
SCHEMBL20004574 0.64 SNCA (0.76) SNCAMAPTGRM4
SCHEMBL20004597 0.64 SNCA (0.94) 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