SCHEMBL14101370

SCHEMBL14101370

C=C(N)N/N=C1\C=C(N2CCN(C)CC2)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.45
DRD2 P14416 7/20 0.44
DRD4 P21917 7/20 0.44
TDP2 O95551 3/20 0.42
NSD2 O96028 3/20 0.42
APAF1 O14727 3/20 0.42
HKDC1 Q2TB90 2/20 0.42
ATG4B Q9Y4P1 2/20 0.40
PLA2G1B P04054 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
GALK1 P51570 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL4648774 0.89 DNMT1 (0.46) DNMT1DRD2DRD4TDP2NSD2
SCHEMBL4648777 0.89 DNMT1 (0.46) DNMT1DRD2DRD4TDP2NSD2
SCHEMBL8171094 0.89 DNMT1 (0.46) DNMT1DRD2DRD4TDP2NSD2
SCHEMBL4649480 0.75 APAF1 (0.56) DNMT1TDP2NSD2APAF1HKDC1
SCHEMBL4649478 0.75 APAF1 (0.56) DNMT1TDP2NSD2APAF1HKDC1
SCHEMBL8170729 0.75 APAF1 (0.56) DNMT1TDP2NSD2APAF1HKDC1
SCHEMBL4649553 0.72 DNMT1 (0.83) DNMT1DRD2DRD4TDP2NSD2
SCHEMBL9089185 0.71 APAF1 (0.54) DNMT1TDP2NSD2APAF1HKDC1
SCHEMBL17249923 0.68 DNMT1 (0.64) DNMT1DRD2DRD4TDP2NSD2
SCHEMBL4648986 0.64 IDO1 (0.43) KMT2AMAPTMAPK1LMNAMEN1

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