SCHEMBL20005088

SCHEMBL20005088

C/C(C#Cc1cc2cccnc2[nH]1)=C\C=C(/C)COCc1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
SNCA P37840 2/20 0.36
HCAR2 Q8TDS4 1/20 0.34
MAOB P27338 5/20 0.33
SGMS2 Q8NHU3 2/20 0.33
NTRK1 P04629 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
FAAH O00519 1/20 0.32
ACACB O00763 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
RIPK1 Q13546 2/20 0.32
NR3C1 P04150 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
SCHEMBL22537592 0.90 MAPT (0.34) MAPTSNCAHCAR2MAOBSGMS2
SCHEMBL20005050 0.76 SNCA (0.52) MAPTSNCAHCAR2MAOBSGMS2
SCHEMBL22537834 0.68 HCAR2 (0.37) MAPTSNCAHCAR2SGMS2ALDH1A1
SCHEMBL20004335 0.68 IDO1 (0.42) HCAR2MAOBRAB9AKDM4EMAOA
SCHEMBL20004514 0.66 SNCA (0.58) MAPTSNCARIPK1
SCHEMBL22537871 0.65 MAPT (0.39) MAPTSNCARIPK1
SCHEMBL20005065 0.62 SNCA (0.59) MAPTSNCARIPK1
SCHEMBL342758 0.61 MAPT (0.60) MAPTSNCARIPK1
SCHEMBL20005072 0.61 SNCA (0.68) MAPTSNCARIPK1
SCHEMBL22537548 0.61 SNCA (0.46) SNCA

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