SCHEMBL8739235

SCHEMBL8739235

COc1cc(Oc2ccccc2)ccc1C(=O)NC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 11/20 0.68
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
PKM P14618 1/20 0.54
HSD17B10 Q99714 1/20 0.53
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
USP2 O75604 1/20 0.51

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
SCHEMBL8738699 0.87 EZH2 (0.71) EZH2KMT2AHSD17B10
SCHEMBL6120862 0.87 EZH2 (0.74) EZH2KMT2AMEN1HSD17B10
SCHEMBL8739254 0.86 EZH2 (0.72) EZH2KMT2AMEN1
SCHEMBL8738976 0.86 EZH2 (0.72) EZH2KMT2AHSD17B10L3MBTL1
SCHEMBL8739010 0.84 EZH2 (0.70) EZH2KMT2A
SCHEMBL6120964 0.81 EZH2 (1.00) EZH2KMT2AMEN1ATML3MBTL1
SCHEMBL8738546 0.81 EZH2 (0.80) EZH2KMT2AMEN1PKMATM
SCHEMBL8738134 0.80 EZH2 (0.80) EZH2KMT2AMEN1PKMATM
SCHEMBL17067305 0.79 ATM (0.62) EZH2KMT2AMEN1PKMHSD17B10
SCHEMBL8738144 0.79 EZH2 (1.00) EZH2KMT2AMEN1PKMATM

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