SCHEMBL28516505

SCHEMBL28516505

C=CC(=O)Nc1cc(-c2ccc(N3CCNCC3)nc2)cc(C(=O)NCc2c(CC)cc(C)[nH]c2=O)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 17/20 1.00
▸ EED O75530 2/20 0.62
▸ SUZ12 Q15022 2/20 0.62
▸ RBBP4 Q09028 1/20 0.62
▸ AEBP2 Q6ZN18 1/20 0.62
▸ EZH1 Q92800 6/20 0.60
▸ HDAC6 Q9UBN7 2/20 0.53

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
SCHEMBL28521908 0.93 EZH2 (0.87) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL19503400 0.88 EZH2 (0.80) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL19503402 0.88 EZH2 (0.78) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL30022137 0.87 EZH2 (0.77) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL28520970 0.87 EZH2 (0.77) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL30021515 0.82 EZH2 (0.69) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL15390253 0.81 EZH2 (0.72) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL21917061 0.81 EZH2 (0.67) EZH2EEDSUZ12RBBP4AEBP2
SCHEMBL16115555 0.80 EZH2 (0.67) EZH2EEDSUZ12RBBP4AEBP2
Acrylamide SCHEMBL28524020 0.79 EZH2 (0.66) EZH2EEDSUZ12EZH1

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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