SCHEMBL20005011

SCHEMBL20005011

CNCc1ccc(C#Cc2cc3cc(F)cnc3[nH]2)s1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SNCA P37840 5/20 0.51
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
CYP2A6 P11509 3/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PRMT6 Q96LA8 1/20 0.33
MAPT P10636 2/20 0.32
KIT P10721 1/20 0.31
PRKCI P41743 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
SCHEMBL20004449 0.86 SNCA (0.50) SNCAMAPTKIT
SCHEMBL20004473 0.85 SNCA (0.56) SNCACYP2A6CYP2D6CYP2C19MAPT
SCHEMBL20004463 0.85 SNCA (0.50) SNCAMAPTKIT
SCHEMBL22537721 0.84 SNCA (0.54) SNCAMAPT
SCHEMBL20004725 0.73 SNCA (0.36) SNCAMAPTKIT
SCHEMBL22537769 0.71 SNCA (0.71) SNCAMAPT
SCHEMBL20004447 0.70 SNCA (0.70) SNCAMAPT
SCHEMBL20004518 0.68 SNCA (1.00) SNCAMAPT
SCHEMBL21115292 0.68 SNCA (0.50) SNCAMAPTKIT
SCHEMBL20005069 0.67 SNCA (0.50) SNCAMAPTKIT

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