SCHEMBL20005009

SCHEMBL20005009

NCc1ccc(C#Cc2cc3cccnc3[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SNCA P37840 8/20 0.64
MAPT P10636 5/20 0.64
RIPK1 Q13546 6/20 0.44
ASIC3 Q9UHC3 1/20 0.42
DAO P14920 1/20 0.39
MELK Q14680 1/20 0.38
ADRB2 P07550 1/20 0.38
PLAU P00749 1/20 0.38
ACACB O00763 1/20 0.37

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
SCHEMBL20004279 0.84 SNCA (0.68) SNCAMAPTRIPK1DAO
SCHEMBL20005065 0.81 SNCA (0.59) SNCAMAPTRIPK1
SCHEMBL20005072 0.81 SNCA (0.68) SNCAMAPTRIPK1DAO
SCHEMBL20005138 0.81 SNCA (0.72) SNCAMAPTRIPK1DAO
SCHEMBL20005052 0.80 SNCA (0.64) SNCAMAPTRIPK1
SCHEMBL20005045 0.80 SNCA (0.72) SNCAMAPTRIPK1ACACB
SCHEMBL22537623 0.80 SNCA (0.57) SNCAMAPTRIPK1
SCHEMBL21147053 0.79 SNCA (0.69) SNCAMAPTRIPK1DAO
SCHEMBL20004547 0.79 MAPT (0.58) SNCAMAPTRIPK1ASIC3DAO
SCHEMBL20005050 0.79 SNCA (0.52) SNCAMAPTRIPK1ACACB

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