SCHEMBL28622612

SCHEMBL28622612

COc1cc(Cn2ccc3ccc(-c4cn(C)c(=O)c5[nH]ccc45)cc32)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 16/20 0.53
▸ BRD9 Q9H8M2 3/20 0.46
▸ CECR2 Q9BXF3 1/20 0.44

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
SCHEMBL29670506 0.87 BRD4 (0.52) BRD4BRD9CECR2
SCHEMBL29670309 0.87 BRD4 (0.60) BRD4BRD9CECR2
SCHEMBL29670386 0.83 BRD4 (0.62) BRD4BRD9
SCHEMBL29670525 0.79 BRD4 (0.51) BRD4BRD9CECR2
SCHEMBL31589737 0.78 BRD4 (0.64) BRD4BRD9CECR2
SCHEMBL31589682 0.75 BRD4 (0.70) BRD4BRD9CECR2
SCHEMBL29670350 0.74 BRD4 (0.55) BRD4BRD9CECR2
SCHEMBL28922767 0.72 BRD4 (0.56) BRD4BRD9CECR2
SCHEMBL29670177 0.72 BRD4 (0.52) BRD4BRD9CECR2
SCHEMBL29670464 0.71 BRD4 (0.59) BRD4BRD9CECR2

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-113402515-B Indole compound and preparation method and application thereof 四川大学华西医院 2022-05-27 — — CN disclosed
CN-113402515-A Indole compound and preparation method and application thereof 四川大学华西医院 2021-09-17 — — CN disclosed
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