SCHEMBL28908489

SCHEMBL28908489

C=CC(=O)Nc1cc(-c2ccc(N3CCN(C(=O)C4CCCCC4)CC3)nc2)cc(C(=O)NCc2c3c(c(C)[nH]c2=O)CCCC3)c1C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 14/20 0.61
▸ HDAC6 Q9UBN7 5/20 0.49
▸ EED O75530 1/20 0.49
▸ RBBP4 Q09028 1/20 0.49
▸ SUZ12 Q15022 1/20 0.49
▸ AEBP2 Q6ZN18 1/20 0.49
▸ PRAP1 Q96NZ9 2/20 0.46
▸ EZH1 Q92800 2/20 0.46

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
SCHEMBL30022084 1.00 EZH2 (0.61) EZH2HDAC6EEDRBBP4SUZ12
SCHEMBL28520970 0.89 EZH2 (0.77) EZH2HDAC6EEDRBBP4SUZ12
SCHEMBL30022137 0.89 EZH2 (0.77) EZH2HDAC6EEDRBBP4SUZ12
SCHEMBL28521908 0.78 EZH2 (0.87) EZH2HDAC6EEDRBBP4SUZ12
SCHEMBL28516505 0.76 EZH2 (1.00) EZH2HDAC6EEDRBBP4SUZ12
SCHEMBL19503400 0.76 EZH2 (0.80) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL19503402 0.75 EZH2 (0.78) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL30021793 0.74 EZH2 (0.51) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL16935365 0.73 EZH2 (0.92) EZH2HDAC6EZH1
SCHEMBL16935285 0.73 EZH2 (0.92) EZH2HDAC6EZH1

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
CN-112341390-B Compound for preparing targeted histone methyltransferase EZH2 covalent inhibitor and preparation method and application thereof 四川大学 2022-08-23 — — CN disclosed
CN-112341390-A Compound for preparing targeted histone methyltransferase EZH2 covalent inhibitor and preparation method and application thereof 四川大学 2021-02-09 — — CN disclosed
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