SCHEMBL8739008

SCHEMBL8739008

COc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1COc1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 7/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.49
CYP2C9 P11712 1/20 0.47
GLA P06280 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAD52 P43351 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL8738985 0.90 EZH2 (0.58) EZH2MEN1KMT2AL3MBTL1ATM
SCHEMBL6120173 0.85 EZH2 (0.77) EZH2MEN1KMT2AL3MBTL1ATM
SCHEMBL8738140 0.84 EZH2 (0.63) EZH2MEN1KMT2AL3MBTL1ATM
SCHEMBL8738601 0.81 EZH2 (0.70) EZH2MEN1KMT2AL3MBTL1ATM
SCHEMBL8739225 0.78 EZH2 (0.78) EZH2MEN1KMT2AL3MBTL1ATM
SCHEMBL17067333 0.76 L3MBTL1 (0.74) EZH2MEN1KMT2APKML3MBTL1
SCHEMBL13575598 0.75 MEN1 (0.71) EZH2MEN1KMT2APKML3MBTL1
SCHEMBL6121036 0.74 EZH2 (0.78) EZH2MEN1KMT2AL3MBTL1ATM
SCHEMBL8739377 0.74 EZH2 (0.78) EZH2MEN1KMT2AL3MBTL1ATM
SCHEMBL8738147 0.73 EZH2 (0.77) EZH2MEN1KMT2AL3MBTL1ATM

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