SCHEMBL20005119

SCHEMBL20005119

Cc1c(C#CCc2ccc(N(C)CCF)cc2)[nH]c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.50
MAPT P10636 2/20 0.50
APP P05067 1/20 0.34
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KIT P10721 1/20 0.32
SYK P43405 2/20 0.31
RET P07949 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
SCHEMBL20005141 0.87 SNCA (0.63) SNCAMAPTAPPKDM4ESMN1; SMN2
SCHEMBL20005180 0.82 SNCA (0.57) SNCAMAPTAPPKDM4ESMN1; SMN2
SCHEMBL20005117 0.76 SNCA (0.49) SNCAMAPTKDM4ESMN1; SMN2KIT
SCHEMBL20004443 0.74 SNCA (0.60) SNCAMAPTAPPKDM4ESMN1; SMN2
SCHEMBL20004553 0.67 SNCA (1.00) SNCAMAPTAPP
SCHEMBL22537901 0.66 MAPT (0.32) SNCAMAPT
SCHEMBL20004597 0.65 SNCA (0.94) SNCAMAPTAPP
SCHEMBL22537869 0.62 SNCA (0.62) SNCAMAPTAPPSMN1; SMN2
SCHEMBL20004522 0.62 SNCA (0.72) SNCAMAPTAPP
SCHEMBL20004711 0.61 SNCA (0.80) SNCAMAPTAPP

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