SCHEMBL8738221

SCHEMBL8738221

COC(=O)c1ccc(COc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 11/20 0.80
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 2/20 0.57
POLB P06746 1/20 0.57
RECQL P46063 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC2A1 P11166 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
SCHEMBL8738962 0.92 EZH2 (0.81) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL8738237 0.90 EZH2 (0.81) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL8738997 0.89 EZH2 (1.00) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL8738695 0.89 EZH2 (0.91) EZH2SLC2A1
SCHEMBL8738289 0.89 EZH2 (0.69) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL8738594 0.87 EZH2 (0.77) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL8738264 0.87 EZH2 (0.77) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL8739028 0.87 EZH2 (0.80) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL8738136 0.86 EZH2 (0.75) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL8738308 0.85 EZH2 (0.73) EZH2MEN1KMT2AMAPTPOLB

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