SCHEMBL28962240

SCHEMBL28962240

COCOc1ccc(C(=C=O)CNC(=O)c2cc(Br)c[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CREBBP Q92793 1/20 0.40
▸ HRH3 Q9Y5N1 4/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.37
▸ VIP P01282 1/20 0.36
▸ KCNA6 P17658 1/20 0.36
▸ KCNA3 P22001 1/20 0.36
▸ KCNA4 P22459 1/20 0.36
▸ KCNA5 P22460 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP1 P03956 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 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
SCHEMBL28928874 0.89 DAO (0.46) DAOPKMCREBBPHRH3ALDH1A1
SCHEMBL28962239 0.87 DAO (0.46) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28928828 0.85 DAO (0.39) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28928840 0.84 PKM (0.51) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28928857 0.81 DAO (0.48) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28929420 0.81 DAO (0.48) DAOPKMCREBBPHRH3ALDH1A1
SCHEMBL28928865 0.81 DAO (0.46) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28928839 0.77 DAO (0.44) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28928850 0.77 PKM (0.44) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28928873 0.75 DAO (0.49) DAOPKMCREBBPALDH1A1HPGD

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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