SCHEMBL21338044

SCHEMBL21338044

Nc1ncnc2c1ncn2[C@H]1CC(O)[C@@H](CN(CCNCCc2ccc(Cl)cc2)CCC(N)C(=O)O)O1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 3/20 0.79
TRDMT1 O14717 3/20 0.62
WDR5 P61964 4/20 0.61
KMT2A Q03164 4/20 0.61
RBBP5 Q15291 4/20 0.61
DPY30 Q9C005 4/20 0.61
ASH2L Q9UBL3 4/20 0.61
DNMT1 P26358 4/20 0.56
NNMT P40261 3/20 0.55
DNMT3B Q9UBC3 1/20 0.54
SMYD3 Q9H7B4 1/20 0.54
SETD2 Q9BYW2 1/20 0.54
DOT1L Q8TEK3 1/20 0.54

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
SCHEMBL469241 0.88 EZH2 (1.00) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL18609673 0.88 EZH2 (1.00) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL20612160 0.88 EZH2 (1.00) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL15281887 0.88 EZH2 (1.00) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL14706086 0.88 EZH2 (1.00) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL17484640 0.88 EZH2 (1.00) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL20612161 0.88 EZH2 (0.74) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL21337956 0.88 EZH2 (0.74) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL18612416 0.86 EZH2 (0.79) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL805652 0.86 EZH2 (0.91) EZH2TRDMT1WDR5KMT2ARBBP5

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
EP-3536314-A1 INHIBITORS OF HUMAN EZH2, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2019-09-11 EP disclosed