SCHEMBL29168554

SCHEMBL29168554

CC(=O)Nc1cccc2c1CN(C(=O)c1c(O)cc(O)cc1OCc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.49
CYP19A1 P11511 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSP90B1 P14625 2/20 0.40
TRAP1 Q12931 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL29168641 0.92 BRD4 (0.47) BRD4CYP19A1MEN1KMT2A
SCHEMBL24913934 0.91 TRAP1 (0.41) BRD4MEN1KMT2AHSP90B1TRAP1
SCHEMBL30789151 0.91 TRAP1 (0.41) BRD4MEN1KMT2AHSP90B1TRAP1
SCHEMBL25253974 0.89 TGM2 (0.39) BRD4HSP90B1TRAP1
SCHEMBL30970470 0.89 TGM2 (0.39) BRD4HSP90B1TRAP1
SCHEMBL30970478 0.88 TRAP1 (0.36) BRD4HSP90B1TRAP1
SCHEMBL25248972 0.88 TRAP1 (0.36) BRD4HSP90B1TRAP1
SCHEMBL24913821 0.86 BRD4 (0.37) BRD4HSP90B1TRAP1
SCHEMBL30789166 0.86 BRD4 (0.37) BRD4HSP90B1TRAP1
SCHEMBL25255911 0.86 BTK (0.42)

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-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 CN claimed
CN-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 CN disclosed