SCHEMBL10062027

SCHEMBL10062027

CC(C)(C)OC(=O)N[C@@H](CCN(CCN(CCc1ccc(Cl)cc1)C(=O)OC(C)(C)C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 3/20 0.52
TRDMT1 O14717 3/20 0.49
WDR5 P61964 2/20 0.47
KMT2A Q03164 2/20 0.47
RBBP5 Q15291 2/20 0.47
DPY30 Q9C005 2/20 0.47
ASH2L Q9UBL3 2/20 0.47
NNMT P40261 6/20 0.46
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
GNMT Q14749 1/20 0.44
SMYD3 Q9H7B4 1/20 0.44
SETD2 Q9BYW2 1/20 0.44

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
SCHEMBL18609691 1.00 EZH2 (0.52) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL18609688 0.93 EZH2 (0.47) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL15281889 0.93 EZH2 (0.47) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL803942 0.92 EZH2 (0.48) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL14703564 0.92 EZH2 (0.48) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL10062026 0.90 EZH2 (0.47) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL804138 0.89 DOT1L (0.49) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL14703565 0.89 DOT1L (0.49) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL23120211 0.86 DOT1L (0.43) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120207 0.86 DOT1L (0.43) WDR5KMT2ARBBP5DPY30ASH2L

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614369-B1 METHOD FOR DETERMINING THE SUITABILITY OF INHIBITORS OF HUMAN EZH2 IN TREATMENT EPIZYME INC (US) 2016-02-03 EP disclosed
WO-2013138361-A1 INHIBITORS OF HUMAN EZH2, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-09-19 WO disclosed
WO-2012034132-A2 INHIBITORS OF HUMAN EZH2, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-03-15 WO disclosed