SCHEMBL8738276

SCHEMBL8738276

CC1(C)CC(NC(=O)c2ccc(COc3cccc4cccnc34)cc2)CC(C)(C)N1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 8/20 0.64
MAPT P10636 8/20 0.62
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 2/20 0.62
HDAC6 Q9UBN7 1/20 0.62
MAPK1 P28482 3/20 0.53
ATM Q13315 1/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
RECQL P46063 2/20 0.52
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL8738568 0.86 EZH2 (0.66) EZH2KMT2AMEN1
SCHEMBL8739405 0.86 EZH2 (0.66) EZH2L3MBTL1KMT2AMEN1
SCHEMBL8739476 0.86 EZH2 (0.63) EZH2SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL8738114 0.85 EZH2 (0.70) EZH2MAPTALDH1A1MAPK1LMNA
SCHEMBL8738927 0.84 EZH2 (0.61) EZH2MAPTALDH1A1KMT2AMEN1
SCHEMBL8738688 0.82 EZH2 (0.69) EZH2MAPTRAB9AL3MBTL1LMNA
SCHEMBL8738171 0.82 EZH2 (0.74) EZH2KMT2AMEN1
SCHEMBL8738175 0.81 EZH2 (0.73) EZH2L3MBTL1KMT2AMEN1
SCHEMBL8738586 0.81 EZH2 (0.73) EZH2MAPT
SCHEMBL8739400 0.80 EZH2 (0.66) EZH2KDM4EMAPK1KMT2AMEN1

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