SCHEMBL31499236

SCHEMBL31499236

Cc1noc(C)c1-c1ccc2oc(=O)n(Cc3ccc(C4CO4)c(F)c3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.66
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
IDO1 P14902 3/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MIF P14174 3/20 0.40
EP300 Q09472 1/20 0.39
CREBBP Q92793 1/20 0.39

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
SCHEMBL31499244 0.83 IDO1 (0.64) BRD4KMT2AMEN1POLBIDO1
SCHEMBL17844281 0.80 BRD4 (1.00) BRD4EP300CREBBP
SCHEMBL29920839 0.80 MIF (0.61) BRD4KMT2AMEN1POLBALDH1A1
SCHEMBL17798015 0.80 MIF (0.61) BRD4KMT2AMEN1POLBALDH1A1
SCHEMBL31499232 0.77 BRD4 (0.64) BRD4EP300CREBBP
SCHEMBL31499235 0.68 CREBBP (0.53) BRD4CREBBP
SCHEMBL31499237 0.67 BRD4 (0.50) BRD4ALDH1A1LMNAHTTEP300
SCHEMBL31499256 0.67 BRD4 (0.62) BRD4LMNA
SCHEMBL31499245 0.67 BRD4 (0.47) BRD4EP300CREBBP
SCHEMBL31499250 0.65 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