SCHEMBL31499237

SCHEMBL31499237

Cc1noc(C)c1-c1ccc2c(c1)n(C)c(=O)n2Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.50
EP300 Q09472 1/20 0.47
CREBBP Q92793 1/20 0.47
PARG Q86W56 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
HDAC4 P56524 5/20 0.45
HDAC3 O15379 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC10 Q969S8 4/20 0.45
HDAC11 Q96DB2 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC9 Q9UKV0 4/20 0.45
HDAC5 Q9UQL6 4/20 0.45
NCOR2 Q9Y618 1/20 0.45
LMNA P02545 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45

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
SCHEMBL31499256 0.89 BRD4 (0.62) BRD4PARGLMNAPTGDR2
SCHEMBL31499235 0.85 CREBBP (0.53) BRD4CREBBP
SCHEMBL31499245 0.83 BRD4 (0.47) BRD4EP300CREBBP
SCHEMBL10146624 0.80 GRM2 (0.60) BRD4CREBBPPARG
SCHEMBL17798168 0.77 BRD4 (0.58) BRD4EP300CREBBP
SCHEMBL24728201 0.75 BRD4 (0.51) BRD4EP300CREBBP
SCHEMBL17798166 0.75 BRD4 (0.57) BRD4EP300CREBBPLMNAPTGDR2
SCHEMBL29920772 0.75 BRD4 (0.57) BRD4EP300CREBBPLMNAPTGDR2
SCHEMBL16347918 0.75 GRIN1 (0.67)
SCHEMBL17798114 0.74 BRD4 (0.58) BRD4EP300CREBBP

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-119504726-A BRD4 inhibitor and preparation method and application thereof 四川大学华西医院 2025-02-25 CN disclosed