SCHEMBL23120232

SCHEMBL23120232

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCNCCc2cccc(Oc3ccccc3)c2)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.81
KMT2A Q03164 1/20 0.81
RBBP5 Q15291 1/20 0.81
DPY30 Q9C005 1/20 0.81
ASH2L Q9UBL3 1/20 0.81
NNMT P40261 14/20 0.72
EZH2 Q15910 3/20 0.70
PRMT1 Q99873 2/20 0.69
BCDIN3D Q7Z5W3 1/20 0.67
DOT1L Q8TEK3 1/20 0.67
SMYD2 Q9NRG4 1/20 0.67
PRMT7 Q9NVM4 1/20 0.67

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
SCHEMBL23120237 1.00 WDR5 (0.81) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120626 0.94 WDR5 (0.77) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120632 0.94 WDR5 (0.77) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120187 0.94 WDR5 (0.84) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120191 0.94 WDR5 (0.84) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120170 0.92 WDR5 (0.94) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120174 0.92 WDR5 (0.94) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120423 0.90 WDR5 (1.00) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120420 0.90 WDR5 (1.00) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120374 0.89 WDR5 (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021053158-A1 NOVEL HISTONE METHYLTRANSFERASE INHIBITORS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2021-03-25 WO disclosed