SCHEMBL20005066

SCHEMBL20005066

CSN1CCN(c2ccc(C#Cc3cc4cc(F)cnc4[nH]3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 7/20 0.58
ALK Q9UM73 2/20 0.40
MAPT P10636 4/20 0.38
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RPS6KA3 P51812 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
VCP P55072 1/20 0.33
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
EGFR P00533 1/20 0.32
STAT6 P42226 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
SCHEMBL20004718 0.85 SNCA (0.60) SNCAALKMAPTTP53STAT6
SCHEMBL20004511 0.84 SNCA (0.57) SNCAALKMAPTALDH1A1LMNA
SCHEMBL20005123 0.82 SNCA (0.56) SNCAALKMAPTKDM4ETP53
SCHEMBL20005047 0.79 SNCA (0.53) SNCAALKMAPTALDH1A1SMN1; SMN2
SCHEMBL21147622 0.77 SNCA (0.53) SNCAALKMAPTALDH1A1SMN1; SMN2
SCHEMBL20005044 0.75 SNCA (0.55) SNCAMAPTALDH1A1LMNAGAA
SCHEMBL22537769 0.75 SNCA (0.71) SNCAMAPT
SCHEMBL20004447 0.74 SNCA (0.70) SNCAMAPT
SCHEMBL20004518 0.74 SNCA (1.00) SNCAMAPT
SCHEMBL20005086 0.73 SNCA (0.58) SNCAMAPTALDH1A1KDM4E

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