SCHEMBL31589663

SCHEMBL31589663

CCn1cc(-c2ccc(C)c(C)c2)c2cc[nH]c2c1=O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CECR2 Q9BXF3 6/20 0.60
▸ BRD4 O60885 14/20 0.50
▸ BRD9 Q9H8M2 6/20 0.50
▸ TAF1 P21675 3/20 0.48

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
SCHEMBL31590651 0.85 BRD4 (0.66) CECR2BRD4BRD9TAF1
SCHEMBL19857631 0.83 BRD9 (0.56) CECR2BRD4BRD9TAF1
SCHEMBL31589718 0.82 CECR2 (0.57) CECR2BRD4BRD9TAF1
SCHEMBL31589695 0.80 BRD4 (0.59) CECR2BRD4BRD9TAF1
SCHEMBL17748956 0.76 CECR2 (1.00) CECR2BRD4BRD9TAF1
SCHEMBL24363730 0.74 BRD4 (0.81) CECR2BRD4BRD9
SCHEMBL31590691 0.72 AURKA (0.37) CECR2BRD4BRD9
SCHEMBL31589831 0.72 PKM (0.43) BRD4BRD9
SCHEMBL24866050 0.70 BRD4 (0.76) CECR2BRD4BRD9TAF1
SCHEMBL24363748 0.69 CECR2 (0.71) CECR2BRD4BRD9TAF1

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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