SCHEMBL29179828

SCHEMBL29179828

COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4c(N5CCC(CCO)CC5)cccc43)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HCRTR1 O43613 6/20 0.38
▸ HCRTR2 O43614 6/20 0.38
▸ ACHE P22303 2/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PCSK9 Q8NBP7 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL27225261 0.94 MEN1 (0.41) MEN1KMT2ALMNAHCRTR1HCRTR2
SCHEMBL27225054 0.88 MEN1 (0.38) MEN1KMT2ALMNAHCRTR1HCRTR2
SCHEMBL27224929 0.87 MEN1 (0.41) MEN1KMT2ALMNAHCRTR1HCRTR2
SCHEMBL27225016 0.87 MEN1 (0.42) MEN1KMT2ALMNAHCRTR1HCRTR2
SCHEMBL31129691 0.87 BACE1 (0.39) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL25583861 0.86 MEN1 (0.37) MEN1KMT2ALMNAHCRTR1HCRTR2
SCHEMBL29179829 0.86 ACHE (0.36) MEN1KMT2ALMNAHCRTR1HCRTR2
SCHEMBL27225524 0.86 MEN1 (0.41) MEN1KMT2ALMNAHCRTR1HCRTR2
SCHEMBL25122941 0.86 MEN1 (0.36) MEN1KMT2ALMNAHCRTR1HCRTR2
SCHEMBL22836063 0.85 LMNA (0.41) MEN1KMT2ALMNAL3MBTL1ALDH1A1

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-117794936-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-03-29 — — CN disclosed
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