SCHEMBL31032961

SCHEMBL31032961

COc1cccc(-c2cccc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 16/20 0.60
▸ EED O75530 3/20 0.60
▸ RBBP4 Q09028 3/20 0.60
▸ SUZ12 Q15022 3/20 0.60
▸ AEBP2 Q6ZN18 3/20 0.60
▸ MEN1 O00255 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ AURKA O14965 1/20 0.53
▸ MMP13 P45452 1/20 0.51
▸ ROCK2 O75116 1/20 0.48

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
SCHEMBL31032873 0.93 EZH2 (0.59) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL31032852 0.88 EZH2 (0.61) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL31032800 0.87 EZH2 (0.55) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL31032838 0.86 EZH2 (0.59) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL31032720 0.85 EZH2 (0.65) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL31033020 0.83 EZH2 (0.53) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL13280293 0.82 EZH2 (0.60) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL31032680 0.80 EZH2 (0.64) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL31032767 0.80 EZH2 (0.58) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL14971995 0.78 EZH2 (0.64) EZH2EEDRBBP4SUZ12AEBP2

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-118388399-A N- ((4, 6-dimethyl-2-oxo-1, 2-dihydropyridine-3-yl) methyl) benzamide compound and preparation method and application thereof 承德医学院 2024-07-26 — — CN disclosed
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