SCHEMBL28928831

SCHEMBL28928831

COCOc1c(C)cc(C(O)CNC(=O)c2ccc[nH]2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ LMNA P02545 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36

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 0.83 KDM4E (0.41) KDM4EGAALMNAPOLB
SCHEMBL28929181 0.83 AOC3 (0.43) KDM4EGAA
SCHEMBL28929413 0.83 GAA (0.45) KDM4EGAALMNAHRH3
SCHEMBL28928836 0.80 KDM4E (0.43) KDM4EGAALMNAPTPN1POLB
SCHEMBL28928845 0.76 NPC1 (0.40) KDM4EGAALMNAPOLB
SCHEMBL28928818 0.76 NPC1 (0.51) KDM4EGAALMNA
SCHEMBL28929404 0.74 NPC1 (0.62) KDM4ELMNAPOLB
SCHEMBL28928872 0.71 LMNA (0.62) KDM4ELMNAPOLB
SCHEMBL28929179 0.71 NPC1 (0.47) KDM4ELMNAPOLB
SCHEMBL28928843 0.71 POLB (0.50) KDM4EGAALMNAPOLBMEN1

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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