SCHEMBL28795559

SCHEMBL28795559

CN1CC(=O)C(CNC(=O)c2cc(-c3cn(C)c(=O)c4[nH]ccc34)cc3c2ccn3CC2CCCCC2)C2=C1CCCC2

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 18/20 0.66
▸ BRD4 O60885 8/20 0.64
▸ BRD2 P25440 1/20 0.44
▸ BRD3 Q15059 1/20 0.44
▸ BRDT Q58F21 1/20 0.44
▸ EZH1 Q92800 1/20 0.44

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
SCHEMBL28945711 0.85 EZH2 (0.64) EZH2BRD4BRD2BRD3BRDT
SCHEMBL28795561 0.78 EZH2 (1.00) EZH2BRD4BRD2BRD3BRDT
SCHEMBL28795531 0.70 EZH2 (1.00) EZH2BRD4BRD2BRD3BRDT
SCHEMBL17754070 0.68 TAF1 (0.60) EZH2BRD4
SCHEMBL17753694 0.68 TAF1 (0.60) EZH2BRD4
SCHEMBL17749030 0.67 TAF1 (0.61) EZH2BRD4
SCHEMBL28795470 0.66 EZH2 (1.00) EZH2BRD4BRD2BRD3BRDT
SCHEMBL30615188 0.63 EZH2 (1.00) EZH2BRD4BRD2BRD3BRDT
SCHEMBL28795497 0.63 EZH2 (1.00) EZH2BRD4BRD2BRD3BRDT
SCHEMBL30073318 0.62 BRD4 (1.00) BRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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