SCHEMBL28521908

SCHEMBL28521908

C=CC(=O)Nc1cc(-c2ccc(N3CCN(C)CC3)nc2)cc(C(=O)NCc2c(CC)cc(C)[nH]c2=O)c1C

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 18/20 0.87
▸ EED O75530 8/20 0.72
▸ SUZ12 Q15022 8/20 0.72
▸ RBBP4 Q09028 3/20 0.72
▸ AEBP2 Q6ZN18 3/20 0.72
▸ EZH1 Q92800 4/20 0.59
▸ RBBP7 Q16576 2/20 0.59
▸ PRMT3 O60678 1/20 0.59
▸ SETD7 Q8WTS6 1/20 0.59
▸ HDAC6 Q9UBN7 2/20 0.55

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
SCHEMBL19503400 0.95 EZH2 (0.80) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL28516505 0.93 EZH2 (1.00) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL19503402 0.89 EZH2 (0.78) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL15393260 0.83 EZH2 (1.00) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL30021515 0.82 EZH2 (0.69) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL21917048 0.82 EZH2 (0.66) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL24227159 0.81 EZH2 (0.62) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL21917060 0.81 EZH2 (0.66) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL17734365 0.80 EZH2 (0.63) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL28520970 0.80 EZH2 (0.77) EZH2EEDSUZ12RBBP4AEBP2

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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