SCHEMBL4649480

SCHEMBL4649480

NC(=O)NN=C1C=C(N2CCOCC2)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 7/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 4/20 0.56
NSD2 O96028 3/20 0.56
TDP2 O95551 3/20 0.56
RAB9A P51151 3/20 0.56
HKDC1 Q2TB90 2/20 0.56
GALK1 P51570 1/20 0.56
BLM P54132 1/20 0.56
ATM Q13315 1/20 0.56
NOD2 Q9HC29 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
S100A4 P26447 2/20 0.44
MAPT P10636 9/20 0.43
ALDH1A1 P00352 6/20 0.43
POLB P06746 3/20 0.43
DNMT1 P26358 1/20 0.43
KDM4E B2RXH2 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41

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
SCHEMBL4649478 1.00 APAF1 (0.56) APAF1MEN1KMT2ANPC1NSD2
SCHEMBL8170729 1.00 APAF1 (0.56) APAF1MEN1KMT2ANPC1NSD2
SCHEMBL9089185 0.86 APAF1 (0.54) APAF1MEN1KMT2ANPC1NSD2
SCHEMBL8171094 0.86 DNMT1 (0.46) APAF1MEN1KMT2ANPC1NSD2
SCHEMBL4648774 0.86 DNMT1 (0.46) APAF1MEN1KMT2ANPC1NSD2
SCHEMBL4648777 0.86 DNMT1 (0.46) APAF1MEN1KMT2ANPC1NSD2
SCHEMBL8175241 0.81 TERT (0.42) APAF1MEN1KMT2ANPC1NSD2
SCHEMBL4647904 0.81 TERT (0.42) APAF1MEN1KMT2ANPC1NSD2
SCHEMBL14101370 0.75 DNMT1 (0.45) APAF1MEN1KMT2ANPC1NSD2
SCHEMBL8175789 0.74 MEN1 (0.37) APAF1MEN1KMT2ATDP2MAPT

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
EP-1961738-A1 New compounds with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2008-08-27 EP disclosed