SCHEMBL20004574

SCHEMBL20004574

COCCN(C)c1ccc(C#Cc2cc3cccnc3[nH]2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 12/20 0.76
MAPT P10636 7/20 0.76
BRAF P15056 1/20 0.40
ACACB O00763 2/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
RIPK1 Q13546 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
CDC7 O00311 2/20 0.36
DBF4 Q9UBU7 1/20 0.36
GRM4 Q14833 2/20 0.36
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL20004470 0.87 SNCA (0.81) SNCAMAPTACACBRIPK1
SCHEMBL22537777 0.86 SNCA (0.79) SNCAMAPTACACBCCNB2CDK1
SCHEMBL20005089 0.86 SNCA (0.79) SNCAMAPTACACBRIPK1
SCHEMBL20004553 0.86 SNCA (1.00) SNCAMAPT
SCHEMBL22930176 0.85 SNCA (0.77) SNCAMAPTACACBCCNB2CDK1
SCHEMBL22537673 0.85 SNCA (0.55) SNCAMAPTBRAFACACB
SCHEMBL20004468 0.84 SNCA (0.71) SNCAMAPTBRAFACACB
SCHEMBL20004597 0.83 SNCA (0.94) SNCAMAPTCCNB2CDK1CCNB1
SCHEMBL20004389 0.82 SNCA (1.00) SNCAMAPTCCNB2CDK1CCNB1
SCHEMBL20005027 0.82 SNCA (0.62) 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 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