SCHEMBL25434994

SCHEMBL25434994

CN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.C[C@@](O)(C(=O)O)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.81
SMYD3 Q9H7B4 3/20 0.66
SETD2 Q9BYW2 1/20 0.66
SMYD2 Q9NRG4 1/20 0.65
WDR5 P61964 3/20 0.65
KMT2A Q03164 3/20 0.65
RBBP5 Q15291 3/20 0.65
DPY30 Q9C005 3/20 0.65
ASH2L Q9UBL3 3/20 0.65
DOT1L Q8TEK3 1/20 0.64
TRDMT1 O14717 7/20 0.64
NNMT P40261 3/20 0.63
PRMT1 Q99873 1/20 0.63

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
SCHEMBL4319361 0.90 EZH2 (1.00) EZH2SMYD3SETD2SMYD2WDR5
SCHEMBL505843 0.90 EZH2 (1.00) EZH2SMYD3SETD2SMYD2WDR5
SCHEMBL20097060 0.90 EZH2 (1.00) EZH2SMYD3SETD2SMYD2WDR5
SCHEMBL14174648 0.90 EZH2 (1.00) EZH2SMYD3SETD2SMYD2WDR5
SCHEMBL4319379 0.90 EZH2 (1.00) EZH2SMYD3SETD2SMYD2WDR5
SCHEMBL19111331 0.85 EZH2 (0.90) EZH2SMYD3SETD2SMYD2WDR5
SCHEMBL23120178 0.82 WDR5 (0.93) EZH2SMYD3SETD2SMYD2WDR5
SCHEMBL19111319 0.81 EZH2 (0.81) EZH2SMYD3SETD2WDR5KMT2A
SCHEMBL23120515 0.80 SMYD3 (0.82) EZH2SMYD3SETD2SMYD2WDR5
SCHEMBL23120511 0.80 SMYD3 (0.82) EZH2SMYD3SETD2SMYD2WDR5

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-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed