SCHEMBL31195685

SCHEMBL31195685

O=C1NC(=O)c2c1ccc(CCOBr)c2CCOBr

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.35
▸ MAOA P21397 6/20 0.34
▸ MAOB P27338 6/20 0.34
▸ PPOX P50336 1/20 0.33
▸ GSK3B P49841 2/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CHEK1 O14757 1/20 0.30
▸ WEE1 P30291 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
SCHEMBL6929455 0.71 WEE1 (0.37) PARP1PPOXGSK3BCDK4CCND1
SCHEMBL1864583 0.71 ELANE (0.42) —
SCHEMBL10911536 0.69 GSK3B (0.41) PARP1PPOXGSK3BCDK4CCND1
SCHEMBL7687362 0.69 PARP1 (0.41) PARP1MAOAMAOBPPOXGSK3B
SCHEMBL7687363 0.69 PARP1 (0.44) PARP1MAOAMAOBPPOXGSK3B
SCHEMBL28264202 0.68 KDM4E (0.34) PARP1MAOAMAOBCHEK1WEE1
Hydrochloric Acid SCHEMBL11212344 0.68 CDK4 (0.35) PARP1PPOXGSK3BCDK4CCND1
SCHEMBL27711864 0.65 PARP1 (0.40) PARP1MAOAMAOBPPOXWEE1
SCHEMBL2344039 0.65 PARP1 (0.40) PARP1MAOAMAOBPPOXGSK3B
SCHEMBL10582955 0.65 PARP1 (0.37) PARP1MAOAMAOBPPOXGSK3B

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-113544126-B Hindered amine stabilizer mixtures 巴斯夫欧洲公司 2024-11-08 — — CN disclosed
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