SCHEMBL28795589

SCHEMBL28795589

CCC(C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3cn(C)c(=O)c4[nH]ccc34)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 19/20 1.00
▸ BRD4 O60885 6/20 0.83
▸ EZH1 Q92800 3/20 0.83
▸ BRD2 P25440 1/20 0.83
▸ BRD3 Q15059 1/20 0.83
▸ BRDT Q58F21 1/20 0.83
▸ EED O75530 1/20 0.58
▸ SUZ12 Q15022 1/20 0.58
▸ HDAC1 Q13547 1/20 0.54

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
SCHEMBL28795592 0.91 EZH2 (1.00) EZH2BRD4EZH1BRD2BRD3
SCHEMBL28795486 0.85 EZH2 (1.00) EZH2BRD4EZH1BRD2BRD3
SCHEMBL28795581 0.85 EZH2 (1.00) EZH2BRD4EZH1BRD2BRD3
SCHEMBL28795531 0.82 EZH2 (1.00) EZH2BRD4EZH1BRD2BRD3
SCHEMBL28795470 0.79 EZH2 (1.00) EZH2BRD4EZH1BRD2BRD3
SCHEMBL2592253 0.78 EZH2 (0.63) EZH2BRD4EZH1BRD2BRD3
SCHEMBL2588655 0.78 EZH2 (0.63) EZH2BRD4EZH1BRD2BRD3
SCHEMBL30620958 0.78 EZH2 (0.63) EZH2BRD4EZH1BRD2BRD3
SCHEMBL2588502 0.78 EZH2 (0.63) EZH2BRD4EZH1BRD2BRD3
SCHEMBL30615161 0.78 EZH2 (0.63) EZH2BRD4EZH1BRD2BRD3

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-114805350-B Benzo heterocycle-pyridone derivative, and preparation method and application thereof 四川大学华西医院 2023-10-20 — — CN disclosed
CN-114805350-A Benzo-heterocycle-pyridone derivatives and preparation method and application thereof 四川大学华西医院 2022-07-29 — — CN disclosed
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