SCHEMBL28962239

SCHEMBL28962239

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ CREBBP Q92793 1/20 0.44
▸ HRH3 Q9Y5N1 4/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ VIP P01282 1/20 0.39
▸ KCNA6 P17658 1/20 0.38
▸ KCNA3 P22001 1/20 0.38
▸ KCNA4 P22459 1/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MMP1 P03956 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ HTT P42858 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
SCHEMBL28928873 0.88 DAO (0.49) DAOPKMCREBBPALDH1A1HPGD
SCHEMBL28962240 0.87 DAO (0.42) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28928839 0.87 DAO (0.44) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28928825 0.84 DAO (0.42) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28928838 0.83 PKM (0.56) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28928832 0.80 NPC1 (0.45) KMT2ASMN1; SMN2
SCHEMBL28928850 0.80 PKM (0.44) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28928854 0.79 PKM (0.52) DAOPKMCREBBPHRH3ALDH1A1
SCHEMBL28929419 0.79 PKM (0.52) DAOPKMCREBBPALDH1A1VIP
SCHEMBL28928863 0.79 DAO (0.49) DAOPKMCREBBPHRH3ADRA2A

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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