SCHEMBL29339013

SCHEMBL29339013

COC(=O)CCN(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HIF1A Q16665 5/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.33
▸ LTA4H P09960 3/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ P4HB P07237 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL18793714 0.75 ALDH1A1 (0.39) ROCK1MEN1KMT2A
SCHEMBL29340328 0.73 AAK1 (0.41) ROCK1HIF1ADGAT1LIPGPRMT5
SCHEMBL17939899 0.71 ROCK1 (0.52) ROCK1HIF1ADGAT1LIPGPRMT5
SCHEMBL20562631 0.71 PDE4D (0.42) ROCK1HIF1ADGAT1LIPGPRMT5
SCHEMBL17939955 0.69 HIF1A (0.42) ROCK1HIF1ADGAT1LIPGPRMT5
SCHEMBL19510675 0.69 ROCK1 (0.41) ROCK1HIF1ADGAT1LIPGLTA4H
SCHEMBL20562401 0.69 HIF1A (0.44) ROCK1HIF1ADGAT1LIPGPRMT5
SCHEMBL27176829 0.69 HIF1A (0.48) ROCK1HIF1ADGAT1LIPGPRMT5
SCHEMBL14711661 0.69 ROCK1 (0.44) ROCK1HIF1ADGAT1LIPGPRMT5
SCHEMBL14274291 0.69 ROCK1 (0.47) ROCK1HIF1ADGAT1LIPGCA1

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
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 — — EP disclosed
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