SCHEMBL4647904

SCHEMBL4647904

NC(=O)NN=C1C=C(CN2CCOCC2)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.42
MALT1 Q9UDY8 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.38
APAF1 O14727 2/20 0.38
NSD2 O96028 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ALDH3A1 P30838 1/20 0.37
POLB P06746 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TDP2 O95551 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
SCHEMBL8175241 1.00 TERT (0.42) TERTMALT1SMN1; SMN2PKMMEN1
SCHEMBL4649480 0.81 APAF1 (0.56) TERTSMN1; SMN2MEN1APAF1NSD2
SCHEMBL4649478 0.81 APAF1 (0.56) TERTSMN1; SMN2MEN1APAF1NSD2
SCHEMBL8170729 0.81 APAF1 (0.56) TERTSMN1; SMN2MEN1APAF1NSD2
SCHEMBL4787268 0.78 PTPN1 (0.36) MALT1SMN1; SMN2PKMMEN1KMT2A
SCHEMBL4787270 0.78 PTPN1 (0.36) MALT1SMN1; SMN2PKMMEN1KMT2A
SCHEMBL8170720 0.74 CYP19A1 (0.37) MALT1PKMMEN1NSD2KMT2A
SCHEMBL8173700 0.73 FGFR1 (0.36) TERTMALT1SMN1; SMN2PKMMEN1
SCHEMBL8175789 0.71 MEN1 (0.37) MALT1SMN1; SMN2PKMMEN1APAF1
SCHEMBL4647935 0.70 PTPRC (0.46) MALT1SMN1; SMN2MEN1APAF1NSD2

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