SCHEMBL8739266

SCHEMBL8739266

CC1(C)CC(NC(=O)c2ccc(COc3cccc(-c4ccc(NC(=O)C5CC5)nc4)c3)cc2)CC(C)(C)N1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 6/20 0.62
F10 P00742 7/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.43
ABL1 P00519 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL8738150 0.93 EZH2 (0.64) EZH2L3MBTL1KMT2AABL1NPC1
SCHEMBL8738307 0.90 EZH2 (0.67) EZH2L3MBTL1KMT2A
SCHEMBL8738621 0.87 EZH2 (0.66) EZH2L3MBTL1KMT2A
SCHEMBL8738126 0.87 EZH2 (0.66) EZH2F10L3MBTL1KMT2A
SCHEMBL8738209 0.87 EZH2 (0.65) EZH2L3MBTL1KMT2APKM
SCHEMBL8739045 0.86 EZH2 (0.64) EZH2L3MBTL1KMT2A
SCHEMBL8738211 0.85 EZH2 (0.68) EZH2L3MBTL1KMT2A
SCHEMBL8739018 0.85 EZH2 (0.68) EZH2L3MBTL1KMT2A
SCHEMBL8738206 0.85 EZH2 (0.73) EZH2L3MBTL1KMT2A
SCHEMBL8738204 0.85 EZH2 (0.69) EZH2L3MBTL1KMT2A

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