SCHEMBL8739010

SCHEMBL8739010

CC1(C)CC(NC(=O)c2ccccc2Oc2ccccc2)CC(C)(C)N1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 15/20 0.70
KMT2A Q03164 1/20 0.60
TSHR P16473 1/20 0.56

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
SCHEMBL8739235 0.84 EZH2 (0.68) EZH2KMT2A
SCHEMBL8504043 0.84 KMT2A (0.76) EZH2KMT2A
SCHEMBL6120964 0.82 EZH2 (1.00) EZH2KMT2ATSHR
SCHEMBL6120862 0.81 EZH2 (0.74) EZH2KMT2A
SCHEMBL8738699 0.81 EZH2 (0.71) EZH2KMT2ATSHR
SCHEMBL8739283 0.80 EZH2 (0.76) EZH2KMT2A
SCHEMBL8739466 0.80 EZH2 (0.73) EZH2KMT2A
SCHEMBL8739254 0.80 EZH2 (0.72) EZH2KMT2ATSHR
SCHEMBL8738976 0.80 EZH2 (0.72) EZH2KMT2ATSHR
SCHEMBL6120270 0.80 KMT2A (0.52) 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