SCHEMBL20004691

SCHEMBL20004691

C/C(C#Cc1ccc(N(C)C)cc1)=C\c1ccc(I)nc1N

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.41
ADK P55263 15/20 0.36
MAPT P10636 2/20 0.31
SNCA P37840 2/20 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
SCHEMBL20005008 0.69 MAPT (0.51) APPMAPTSNCA
SCHEMBL20001579 0.66 APP (0.44) APPADKMAPT
SCHEMBL22537764 0.64 APP (0.35) APP
SCHEMBL770159 0.61 ALDH1A1 (0.65) APPADKMAPTSNCA
SCHEMBL10300053 0.61 ALDH1A1 (0.65) APPADKMAPTSNCA
SCHEMBL11089419 0.61 APP (0.60) APPMAPT
SCHEMBL15591967 0.58 APP (0.44) APP
SCHEMBL8028758 0.57 ALDH1A1 (0.55) APPADKMAPTSNCA
SCHEMBL13247229 0.56 RELA (0.63) APPMAPT
SCHEMBL18526935 0.56 ALDH1A1 (0.48) APPADKMAPTSNCA

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