SCHEMBL20004277

SCHEMBL20004277

NC1=CCC(C#Cc2cc3cccnc3[nH]2)C=C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
SNCA P37840 2/20 0.42
RIPK1 Q13546 6/20 0.39
DAO P14920 1/20 0.35
RET P07949 3/20 0.34
KDR P35968 1/20 0.34
GCK P35557 1/20 0.32

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
SCHEMBL20004729 0.78 MAPT (0.45) MAPTSNCA
SCHEMBL20004585 0.76 MAPT (0.49) MAPTSNCARIPK1
SCHEMBL30313250 0.69 MAPT (0.47) MAPTSNCARIPK1DAO
SCHEMBL20004279 0.67 SNCA (0.68) MAPTSNCARIPK1DAORET
SCHEMBL342758 0.67 MAPT (0.60) MAPTSNCARIPK1DAO
SCHEMBL20004547 0.65 MAPT (0.58) MAPTSNCARIPK1DAORET
SCHEMBL22150197 0.64 MAPT (0.56) MAPTSNCARIPK1DAO
SCHEMBL3155901 0.64 DAO (0.54) MAPTSNCARIPK1DAO
SCHEMBL13732919 0.64 MAPT (0.51) MAPTSNCARIPK1DAO
SCHEMBL22537694 0.64 SNCA (0.55) MAPTSNCARIPK1DAO

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