SCHEMBL20005138

SCHEMBL20005138

Cc1ccc(C#Cc2cc3cccnc3[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SNCA P37840 12/20 0.72
MAPT P10636 7/20 0.72
DAO P14920 1/20 0.42
RIPK1 Q13546 5/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL21147053 0.85 SNCA (0.69) SNCAMAPTDAORIPK1CCNB2
SCHEMBL22537818 0.85 SNCA (0.61) SNCAMAPTDAORIPK1CCNB2
SCHEMBL20004279 0.85 SNCA (0.68) SNCAMAPTDAORIPK1ALDH1A1
SCHEMBL20005072 0.85 SNCA (0.68) SNCAMAPTDAORIPK1CCNB2
SCHEMBL20004519 0.84 SNCA (0.67) SNCAMAPTRIPK1CCNB2CDK1
SCHEMBL20004389 0.84 SNCA (1.00) SNCAMAPTDAORIPK1CCNB2
SCHEMBL22537701 0.82 SNCA (0.56) SNCAMAPT
SCHEMBL20005009 0.81 SNCA (0.64) SNCAMAPTDAORIPK1
SCHEMBL22930176 0.80 SNCA (0.77) SNCAMAPTDAORIPK1CCNB2
SCHEMBL342758 0.79 MAPT (0.60) SNCAMAPTDAORIPK1CCNB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
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