SCHEMBL8739012

SCHEMBL8739012

COc1cncc(-c2cccc(OCc3ccc(C(=O)NC4CC(C)(C)NC(C)(C)C4)cc3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 10/20 0.67
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
RAD52 P43351 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL6121081 0.91 EZH2 (0.67) EZH2L3MBTL1ATMMEN1KMT2A
SCHEMBL8738204 0.91 EZH2 (0.69) EZH2L3MBTL1ATMMEN1KMT2A
SCHEMBL8738268 0.90 EZH2 (0.66) EZH2L3MBTL1ATMMEN1KMT2A
SCHEMBL8739018 0.90 EZH2 (0.68) EZH2L3MBTL1ATMMEN1KMT2A
SCHEMBL8738617 0.88 EZH2 (0.65) EZH2
SCHEMBL8738209 0.88 EZH2 (0.65) EZH2L3MBTL1ATMMEN1KMT2A
SCHEMBL8738629 0.87 EZH2 (0.74) EZH2L3MBTL1ATMMEN1KMT2A
SCHEMBL8738576 0.87 EZH2 (0.68) EZH2L3MBTL1ATMMEN1KMT2A
SCHEMBL8738211 0.87 EZH2 (0.68) EZH2L3MBTL1ATMMEN1KMT2A
SCHEMBL8738206 0.86 EZH2 (0.73) EZH2L3MBTL1ATMMEN1KMT2A

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