SCHEMBL20004390

SCHEMBL20004390

Cc1cccnc[nH]c(C#Cc2ccc(N(C)C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SNCA P37840 12/20 0.51
MAPT P10636 7/20 0.51
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
NSD2 O96028 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADK P55263 5/20 0.35
GRM5 P41594 1/20 0.33

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
SCHEMBL22537899 0.80 SNCA (0.49) SNCAMAPTADK
SCHEMBL22537866 0.71 SNCA (0.48) SNCAMAPTMEN1NPC1RAB9A
SCHEMBL22537667 0.71 SNCA (0.59) SNCAMAPTADK
SCHEMBL9804473 0.68 CHRM5 (0.62) SNCAMAPTMEN1NPC1RAB9A
SCHEMBL20004389 0.68 SNCA (1.00) SNCAMAPT
SCHEMBL22537780 0.68 SNCA (0.49) SNCAMAPTADK
SCHEMBL10300053 0.67 ALDH1A1 (0.65) SNCAMAPTTDP1ADK
SCHEMBL770159 0.67 ALDH1A1 (0.65) SNCAMAPTTDP1ADK
SCHEMBL20004310 0.67 SNCA (1.00) SNCAMAPTADK
SCHEMBL20004678 0.65 SNCA (0.49) SNCAMAPT

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