SCHEMBL4646829

SCHEMBL4646829

CN(C)CCOc1ccc2c(c1)C(=O)/C(=N/NC(N)=O)C=C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
CHEK1 O14757 1/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRNA7 P36544 1/20 0.39
LMNA P02545 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
NSD2 O96028 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRNB2 P17787 1/20 0.36

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
SCHEMBL4646835 1.00 KDM4E (0.40) KDM4EALDH1A1ADORA2AADORA1CHEK1
SCHEMBL14101161 0.86 KMT2A (0.36) KDM4EALDH1A1MAPTKMT2ACHRNA7
SCHEMBL4648903 0.73 KMT2A (0.39) KDM4EKMT2AMEN1GAA
SCHEMBL4648906 0.73 KMT2A (0.39) KDM4EKMT2AMEN1GAA
SCHEMBL4648045 0.72 PTPRC (0.40) KDM4EALDH1A1MAPTKMT2AMEN1
Naftazone SCHEMBL1697156 0.70 MEN1 (0.44) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL1797893 0.68 MAPT (0.71) KDM4EALDH1A1ADORA2AADORA1MAPT
SCHEMBL9335025 0.68 KMT2A (0.67) KDM4EALDH1A1ADORA2AADORA1MAPT
SCHEMBL1797545 0.68 KMT2A (0.62) KDM4EALDH1A1ADORA2AADORA1MAPT
SCHEMBL30538415 0.68 MAPT (0.71) KDM4EALDH1A1ADORA2AADORA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961738-A1 New compounds with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2008-08-27 EP disclosed
EP-1961738-A1 New compounds with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2008-08-27 EP disclosed
WO-2008098751-A1 NEW COMPOUNDS WITH ANTIGLUTAMATERGIC PROPERTIES AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2008-08-21 WO disclosed