SCHEMBL28929413

SCHEMBL28929413

COCOc1ccc(C(O)CNC(=O)c2ccc[nH]2)cc1OCOC

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ HRH3 Q9Y5N1 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HIF1A Q16665 1/20 0.37

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
SCHEMBL28928862 0.85 KDM4E (0.41) GAAKDM4ELMNA
SCHEMBL28929181 0.85 AOC3 (0.43) GAAKDM4E
SCHEMBL28929188 0.83 PKM (0.42) HRH3LMNAALDH1A1CYP3A4HIF1A
SCHEMBL28928831 0.83 KDM4E (0.42) GAAHRH3KDM4ELMNA
SCHEMBL28928818 0.78 NPC1 (0.51) GAAKDM4ELMNAALDH1A1
SCHEMBL28928821 0.78 GAA (0.47) GAAHRH3KDM4ELMNA
SCHEMBL28929404 0.74 NPC1 (0.62) KDM4ELMNA
SCHEMBL28928872 0.74 LMNA (0.62) KDM4ELMNA
SCHEMBL28928843 0.74 POLB (0.50) GAAKDM4ELMNA
SCHEMBL28929179 0.74 NPC1 (0.47) KDM4ELMNA

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-115583942-A 2-substituted 5-phenyl-oxazole derivative, preparation method thereof and application thereof as MNK (MNK) inhibitor 中国海洋大学 2023-01-10 — — CN disclosed
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