SCHEMBL31124663

SCHEMBL31124663

CCC(C)n1ccc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cccc21

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 20/20 0.84
BRD4 O60885 4/20 0.61
BRD2 P25440 1/20 0.61
BRD3 Q15059 1/20 0.61
BRDT Q58F21 1/20 0.61
EZH1 Q92800 1/20 0.61
EED O75530 2/20 0.57
RBBP4 Q09028 2/20 0.57
SUZ12 Q15022 2/20 0.57
AEBP2 Q6ZN18 2/20 0.57

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
SCHEMBL31124671 0.93 EZH2 (0.81) EZH2BRD4BRD2BRD3BRDT
SCHEMBL31124661 0.91 EZH2 (0.82) EZH2BRD4BRD2BRD3BRDT
SCHEMBL2594888 0.91 EZH2 (1.00) EZH2BRD4EEDRBBP4SUZ12
SCHEMBL28795469 0.87 EZH2 (0.64) EZH2BRD4BRD2BRD3BRDT
SCHEMBL30367815 0.80 EZH2 (0.79) EZH2BRD4
SCHEMBL30122893 0.80 EZH2 (1.00) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL12684416 0.80 EZH2 (1.00) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL18863744 0.79 EZH2 (0.78) EZH2BRD4BRD2BRD3BRDT
SCHEMBL17970320 0.78 EZH2 (0.77) EZH2BRD4BRD2BRD3BRDT
SCHEMBL2595007 0.78 EZH2 (0.74) EZH2EZH1EEDRBBP4SUZ12

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-118702679-B Compound with EZH2/BRD4 double-target activity, pharmaceutical composition, and preparation method and application thereof 四川大学华西医院 2024-10-29 CN disclosed
CN-118702679-A Compound with EZH2/BRD4 double-target activity, pharmaceutical composition, and preparation method and application thereof 四川大学华西医院 2024-09-27 CN disclosed