SCHEMBL8738136

SCHEMBL8738136

CC1(C)CC(NC(=O)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)CC(C)(C)N1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 10/20 0.75
PKM P14618 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.58
MAOB P27338 1/20 0.58
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
RECQL P46063 1/20 0.52
PLA2G4B P0C869 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL8738264 0.91 EZH2 (0.77) EZH2PKML3MBTL1KMT2AMAPT
SCHEMBL8738237 0.87 EZH2 (0.81) EZH2MAOBKMT2AMAPTMEN1
SCHEMBL8738962 0.87 EZH2 (0.81) EZH2PKML3MBTL1KMT2AMAPT
SCHEMBL8738169 0.87 EZH2 (0.74) EZH2PKML3MBTL1KMT2AMAPT
SCHEMBL7040302 0.87 L3MBTL1 (0.76) EZH2PKML3MBTL1KMT2AMAPT
SCHEMBL8738221 0.86 EZH2 (0.80) EZH2L3MBTL1KMT2AMAPTMEN1
SCHEMBL8738997 0.86 EZH2 (1.00) EZH2KMT2AMAPTMEN1POLB
SCHEMBL8738695 0.86 EZH2 (0.91) EZH2
SCHEMBL8738594 0.84 EZH2 (0.77) EZH2L3MBTL1KMT2AMAPTMEN1
SCHEMBL8739028 0.84 EZH2 (0.80) EZH2L3MBTL1KMT2AMAPTMEN1

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-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 WO disclosed