SCHEMBL30615161

SCHEMBL30615161

CCC(C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(Br)cc21

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 17/20 0.63
EZH1 Q92800 5/20 0.61
EED O75530 4/20 0.61
SUZ12 Q15022 4/20 0.61
RBBP4 Q09028 3/20 0.60
AEBP2 Q6ZN18 3/20 0.60
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.55
BRD4 O60885 1/20 0.50
BRD2 P25440 1/20 0.50
BRD3 Q15059 1/20 0.50
BRDT Q58F21 1/20 0.50

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
SCHEMBL2588502 1.00 EZH2 (0.63) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL2588655 1.00 EZH2 (0.63) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL30620958 1.00 EZH2 (0.63) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL2592253 1.00 EZH2 (0.63) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL12180154 0.93 EED (0.56) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16360915 0.93 EZH2 (0.55) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16360904 0.93 EZH2 (0.55) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16360914 0.92 EZH2 (0.55) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL14717966 0.92 EED (0.58) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL2592559 0.92 EZH2 (0.64) EZH2EZH1EEDSUZ12RBBP4

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-B Benzo heterocycle-pyridone derivative, and preparation method and application thereof 四川大学华西医院 2023-10-20 CN disclosed