SCHEMBL23233752

SCHEMBL23233752

Cn1cc(Br)c2c[nH]cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRD9 Q9H8M2 1/20 0.33
BRD7 Q9NPI1 1/20 0.33
TNF P01375 1/20 0.30

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
SCHEMBL16651641 0.75 BRD4 (0.58) BRD4L3MBTL1BRD9BRD7
SCHEMBL29613217 0.75 BRD4 (0.58) BRD4L3MBTL1BRD9BRD7
SCHEMBL21224811 0.73 BRD4 (0.37) BRD4L3MBTL1BRD9BRD7
SCHEMBL28635546 0.71 BRD4 (0.34) BRD4L3MBTL1
SCHEMBL20155328 0.69 HTT (0.41) BRD4BRD9
SCHEMBL28520363 0.69 HTT (0.38) BRD4L3MBTL1BRD9
SCHEMBL19770707 0.69 BRD9 (0.42) BRD4L3MBTL1BRD9BRD7
SCHEMBL15069186 0.69 BRD4 (0.37) BRD4
SCHEMBL16651059 0.69 BRD9 (0.46) BRD4L3MBTL1BRD9BRD7
SCHEMBL15069208 0.69 BRD4 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114401964-B Compound with BRD4 inhibitory activity, preparation method and application thereof 上海海和药物研究开发股份有限公司 2024-10-01 CN disclosed
CN-114401964-A Compound with BRD4 inhibitory activity, preparation method and application thereof 上海海和药物研究开发股份有限公司 2022-04-26 CN disclosed
WO-2021068755-A1 COMPOUND HAVING BRD4 INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 上海海和药物研究开发股份有限公司 2021-04-15 WO disclosed