SCHEMBL20005008

SCHEMBL20005008

C/C(C#Cc1ccc(N(C)C)cc1)=C\c1ccc(-c2cccs2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
SNCA P37840 2/20 0.51
KDM4E B2RXH2 8/20 0.41
TP53 P04637 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
ALDH1A1 P00352 7/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HCRTR1 O43613 1/20 0.36
GAA P10253 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL22537684 0.77 KDM4E (0.43) MAPTSNCAKDM4EMEN1KMT2A
SCHEMBL20004691 0.69 APP (0.41) MAPTSNCAAPP
SCHEMBL20004552 0.67 SNCA (1.00) MAPTSNCAKDM4ETP53MEN1
SCHEMBL12454616 0.66 KDM4E (0.62) MAPTKDM4ETP53MEN1KMT2A
SCHEMBL20232427 0.64 KDM4E (0.63) MAPTKDM4ETP53MEN1KMT2A
SCHEMBL820477 0.64 KDM4E (0.55) MAPTKDM4ETP53MEN1KMT2A
SCHEMBL10979112 0.63 MAPT (0.55) MAPTSNCAKDM4ETP53MEN1
SCHEMBL16438246 0.62 KDM4E (0.71) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL8618790 0.62 MAPT (0.55) MAPTSNCAKDM4ETP53MEN1
SCHEMBL22537764 0.61 APP (0.35) MEN1KMT2AALDH1A1APP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
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