SCHEMBL8739476

SCHEMBL8739476

CC1(C)CC(NC(=O)c2ccc(COc3cccc4ncccc34)cc2)CC(C)(C)N1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 12/20 0.63
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL8738177 0.93 EZH2 (0.67) EZH2KMT2A
SCHEMBL8738657 0.87 EZH2 (0.65) EZH2KMT2AMEN1L3MBTL1
SCHEMBL8738114 0.86 EZH2 (0.70) EZH2KMT2AMEN1
SCHEMBL8738276 0.86 EZH2 (0.64) EZH2KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL8738568 0.85 EZH2 (0.66) EZH2KMT2AMEN1
SCHEMBL8738927 0.83 EZH2 (0.61) EZH2KMT2AMEN1
SCHEMBL8738688 0.81 EZH2 (0.69) EZH2KMT2AMEN1L3MBTL1
SCHEMBL8738171 0.81 EZH2 (0.74) EZH2KMT2AMEN1
SCHEMBL8738175 0.80 EZH2 (0.73) EZH2KMT2AMEN1L3MBTL1
SCHEMBL8738586 0.80 EZH2 (0.73) EZH2

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