SCHEMBL31590222

SCHEMBL31590222

CCn1ccc2c(-c3ccc(OC)cc3)cn(C)c(=O)c21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.44
▸ BRD4 O60885 6/20 0.43
▸ GRM2 Q14416 6/20 0.42
▸ ESRRA P11474 2/20 0.39
▸ PDE10A Q9Y233 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ BRD2 P25440 1/20 0.36
▸ BRD9 Q9H8M2 1/20 0.36
▸ BRD7 Q9NPI1 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL31590170 0.85 BRD4 (0.48) BRD4GRM2ESRRAESR1ESR2
SCHEMBL31590252 0.84 BRD4 (0.43) BRD4
SCHEMBL31589831 0.80 PKM (0.43) BRD4BRD9BRD7
SCHEMBL31590329 0.73 BRD4 (0.45) GFERBRD4KDM4EMEN1MAPT
SCHEMBL31589747 0.73 BRD4 (0.55) BRD4KDM4EMEN1MAPTKMT2A
SCHEMBL17963571 0.72 CCNT1 (0.33) BRD4GRM2KDM4E
SCHEMBL31589695 0.72 BRD4 (0.59) BRD4BRD9
SCHEMBL3949064 0.71 TP53 (0.55) BRD4ESRRAKDM4EMEN1MAPT
SCHEMBL19920869 0.69 BRD4 (0.62) BRD4ESRRAKDM4EMEN1KMT2A
SCHEMBL31589682 0.69 BRD4 (0.70) BRD4BRD9

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-120040445-A Heterocyclopyridine-7-one compound and medical application thereof 浙江大学金华研究院 2025-05-27 — — CN disclosed
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