SCHEMBL8739717

SCHEMBL8739717

CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C(=O)N3CCCC3)c(Cl)c2)CC(C)(C)N1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 17/20 0.66
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57

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
SCHEMBL8739463 0.87 EZH2 (0.73) EZH2MEN1KMT2A
SCHEMBL8739412 0.86 EZH2 (0.72) EZH2MEN1KMT2A
SCHEMBL8739249 0.86 EZH2 (0.72) EZH2MEN1KMT2A
SCHEMBL8739743 0.84 EZH2 (0.69) EZH2MEN1KMT2A
SCHEMBL8739049 0.84 EZH2 (0.68) EZH2MEN1KMT2A
SCHEMBL8738112 0.83 EZH2 (0.79) EZH2MEN1KMT2A
SCHEMBL8738618 0.82 EZH2 (0.74) EZH2MEN1KMT2A
SCHEMBL8739250 0.81 EZH2 (0.65) EZH2MEN1KMT2A
SCHEMBL8738155 0.81 EZH2 (0.73) EZH2MEN1KMT2A
SCHEMBL6119756 0.81 EZH2 (0.77) EZH2MEN1KMT2A

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