SCHEMBL8738622

SCHEMBL8738622

CC1(C)CC(NC(=O)c2ccc(Oc3cccc(-c4cn[nH]c4)c3C#N)c(Cl)c2)CC(C)(C)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 19/20 1.00
MEN1 O00255 1/20 0.48
KMT2A Q03164 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
SCHEMBL8739029 0.92 EZH2 (0.84) EZH2
SCHEMBL8738930 0.91 EZH2 (0.84) EZH2
SCHEMBL8739666 0.91 EZH2 (0.83) EZH2
SCHEMBL8739453 0.91 EZH2 (0.83) EZH2
SCHEMBL8738987 0.90 EZH2 (0.84) EZH2
SCHEMBL8738656 0.89 EZH2 (0.81) EZH2
SCHEMBL8738213 0.89 EZH2 (0.85) EZH2
SCHEMBL30960975 0.89 EZH2 (1.00) EZH2
SCHEMBL6120847 0.89 EZH2 (1.00) EZH2
SCHEMBL8739683 0.89 EZH2 (1.00) 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