SCHEMBL28928828

SCHEMBL28928828

COCOc1ccc(C(=C=O)CNC(=O)c2cc(Br)c[nH]2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CREBBP Q92793 1/20 0.37
▸ VIP P01282 1/20 0.36
▸ HRH3 Q9Y5N1 4/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ PARP15 Q460N3 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ KCNA6 P17658 1/20 0.33
▸ KCNA3 P22001 1/20 0.33
▸ KCNA4 P22459 1/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ MAOB P27338 1/20 0.32
▸ GPR35 Q9HC97 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32

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
SCHEMBL28928825 0.88 DAO (0.42) DAOPKMCREBBPVIPHRH3
SCHEMBL28962240 0.85 DAO (0.42) DAOPKMCREBBPVIPHRH3
SCHEMBL28928826 0.77 PKM (0.40) DAOPKMCREBBPVIPHRH3
SCHEMBL28928874 0.77 DAO (0.46) DAOPKMCREBBPHRH3ALDH1A1
SCHEMBL28962239 0.77 DAO (0.46) DAOPKMCREBBPVIPHRH3
SCHEMBL28928857 0.73 DAO (0.48) DAOPKMCREBBPVIPHRH3
SCHEMBL28928858 0.72 NPC1 (0.44) PARP10MAOB
SCHEMBL28928840 0.71 PKM (0.51) DAOPKMCREBBPVIPHRH3
SCHEMBL28928850 0.71 PKM (0.44) DAOPKMCREBBPVIPHRH3
SCHEMBL28929420 0.69 DAO (0.48) DAOPKMCREBBPVIPHRH3

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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