SCHEMBL20005126

SCHEMBL20005126

Cc1cnc2[nH]c(C#Cc3ccc(N4CCC5(CCCC5)CC4)cc3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SNCA P37840 9/20 0.43
MAPT P10636 6/20 0.38
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
ACACB O00763 4/20 0.35
ALK Q9UM73 2/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
NR4A1 P22736 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL20005123 0.87 SNCA (0.56) SNCAMAPTPIK3CAMTORACACB
SCHEMBL22537543 0.81 SNCA (0.41) SNCAMAPTACACBALKKDM4E
SCHEMBL22537701 0.79 SNCA (0.56) SNCAMAPTKIT
SCHEMBL22537820 0.73 SNCA (0.51) SNCAMAPTACACBKIT
SCHEMBL22537877 0.73 SNCA (0.75) SNCAMAPT
SCHEMBL20004718 0.73 SNCA (0.60) SNCAMAPTALKMAPK1
SCHEMBL20005066 0.72 SNCA (0.58) SNCAMAPTALKKDM4EMEN1
SCHEMBL21147082 0.71 CYP2C9 (0.38) PIK3CAMTORACACBMEN1ALDH1A1
SCHEMBL20004511 0.71 SNCA (0.57) SNCAMAPTPIK3CAALKKCNH2
SCHEMBL20005047 0.69 SNCA (0.53) SNCAMAPTACACBALKALDH1A1

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