SCHEMBL20005094

SCHEMBL20005094

C/C(=C/c1cc2ncccc2[nH]1)c1ccc(N(C)CCF)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
SNCA P37840 3/20 0.43
APP P05067 4/20 0.41
DAO P14920 1/20 0.36
ATAD2 Q6PL18 1/20 0.34
HRH4 Q9H3N8 1/20 0.31
SYK P43405 2/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL20004522 0.73 SNCA (0.72) MAPTSNCAAPPDAOATAD2
SCHEMBL14053608 0.65 KIF11 (0.51) MAPTSNCAAPP
SCHEMBL24492765 0.62 DAO (0.49) MAPTSNCADAOATAD2HRH4
SCHEMBL29422812 0.62 DAO (0.53) MAPTSNCADAOATAD2HRH4
SCHEMBL4278906 0.62 DAO (0.53) MAPTSNCADAOATAD2HRH4
SCHEMBL20004553 0.60 SNCA (1.00) MAPTSNCAAPPDAO
SCHEMBL25775091 0.59 MAPT (0.56) MAPTSNCADAOATAD2HRH4
SCHEMBL19995022 0.59 SNCA (0.64) MAPTSNCADAOATAD2HRH4
SCHEMBL9396747 0.59 ATAD2 (0.49) MAPTSNCADAOATAD2HRH4
SCHEMBL20004597 0.58 SNCA (0.94) MAPTSNCAAPP

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