SCHEMBL23120347

SCHEMBL23120347

CNc1ncnc2c1ccn2[C@@H]1C[C@H](CN(CCCNCCc2ccc(Oc3ccccc3)cc2)CCC(N)C(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ RBBP5 Q15291 2/20 0.45
▸ DPY30 Q9C005 2/20 0.45
▸ ASH2L Q9UBL3 2/20 0.45
▸ PRMT5 O14744 7/20 0.44
▸ EZH2 Q15910 3/20 0.41
▸ WDR77 Q9BQA1 3/20 0.40
▸ PRMT1 Q99873 1/20 0.39
▸ NNMT P40261 3/20 0.38
▸ METTL3 Q86U44 1/20 0.38
▸ DOT1L Q8TEK3 3/20 0.38

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
SCHEMBL23120346 1.00 WDR5 (0.45) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120343 0.95 WDR5 (0.44) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120342 0.95 WDR5 (0.44) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL31713909 0.94 WDR5 (0.50) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120190 0.94 WDR5 (0.50) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120194 0.94 WDR5 (0.50) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL24508073 0.90 PRMT5 (0.43) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL29743107 0.90 PRMT5 (0.43) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120370 0.88 EZH2 (0.42) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120333 0.84 NNMT (0.38) 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 2 patents. 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 claimed
WO-2021053158-A1 NOVEL HISTONE METHYLTRANSFERASE INHIBITORS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2021-03-25 — — WO disclosed
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