SCHEMBL8739277

SCHEMBL8739277

CC1(C)CC(NC(=O)c2ccc(Oc3cccc(CN4CCOCC4)c3)cc2)CC(C)(C)N1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 11/20 0.64
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
CCR8 P51685 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 1/20 0.48
DRD4 P21917 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 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
SCHEMBL8739043 0.92 EZH2 (0.67) EZH2CCR8KMT2ADRD4
SCHEMBL8739440 0.91 EZH2 (0.66) EZH2CCR8DRD4
SCHEMBL8738589 0.84 EZH2 (0.75) EZH2KMT2A
SCHEMBL8738269 0.82 EZH2 (0.72) EZH2KMT2A
SCHEMBL8738278 0.81 EZH2 (0.71) EZH2KMT2A
SCHEMBL8739015 0.79 EZH2 (0.77) EZH2
SCHEMBL8738591 0.79 EZH2 (1.00) EZH2KMT2A
SCHEMBL8738562 0.79 EZH2 (0.80) EZH2KMT2A
SCHEMBL8738134 0.79 EZH2 (0.80) EZH2KMT2A
SCHEMBL6120964 0.78 EZH2 (1.00) EZH2KMT2A

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