SCHEMBL8738568

SCHEMBL8738568

CC1(C)CC(NC(=O)c2ccc(COc3cccnc3Cl)cc2)CC(C)(C)N1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 15/20 0.66
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL8738276 0.86 EZH2 (0.64) EZH2MEN1KMT2A
SCHEMBL8739476 0.85 EZH2 (0.63) EZH2MEN1KMT2A
SCHEMBL8738171 0.83 EZH2 (0.74) EZH2MEN1KMT2A
SCHEMBL8738175 0.82 EZH2 (0.73) EZH2MEN1KMT2A
SCHEMBL8738586 0.82 EZH2 (0.73) EZH2
SCHEMBL8738688 0.82 EZH2 (0.69) EZH2MEN1KMT2A
SCHEMBL8738114 0.81 EZH2 (0.70) EZH2MEN1KMT2A
SCHEMBL8739245 0.81 EZH2 (0.77) EZH2MEN1KMT2A
SCHEMBL8738177 0.80 EZH2 (0.67) EZH2KMT2A
SCHEMBL8739028 0.80 EZH2 (0.80) 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