SCHEMBL5317404

SCHEMBL5317404

CN(CCO)C(=O)c1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.58
GSK3B P49841 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
HDAC4 P56524 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
NR3C2 P08235 1/20 0.43
KCNH2 Q12809 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
MLYCD O95822 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
MMP2 P08253 1/20 0.42
DRD2 P14416 1/20 0.41
PDK2 Q15119 1/20 0.41
ACACB O00763 1/20 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
SCHEMBL5414969 0.93 NSD2 (0.52) NSD2GSK3BCA1CA2KMT2A
SCHEMBL10795881 0.86 HDAC4 (0.54) HDAC4ALDH1A1MLYCDDRD2PDK2
SCHEMBL8160105 0.83 HDAC4 (0.45) NSD2HDAC4MLYCDDRD2PDK2
SCHEMBL5318145 0.81 NSD2 (0.60) NSD2GSK3BCA1CA2KMT2A
SCHEMBL7329778 0.79 ESRRG (0.65) NSD2CA2KMT2AMEN1NPC1
SCHEMBL23470992 0.79 HDAC4 (0.49) HDAC4MLYCDDRD2PDK2
SCHEMBL11748046 0.79 CDK4 (0.50) GSK3BHDAC4ALDH1A1MLYCDDRD2
SCHEMBL23116831 0.79 ESRRG (0.56) CA1CA2HDAC4ALDH1A1MAPT
SCHEMBL10933810 0.78 NSD2 (0.55) NSD2GSK3BCA1CA2KMT2A
SCHEMBL21332320 0.78 RAB9A (0.58) NSD2KMT2AMEN1NPC1ALDH1A1

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
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed