SCHEMBL28928865

SCHEMBL28928865

CN(C)c1ccc(C(=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 2/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ HDAC1 Q13547 8/20 0.38
▸ HDAC6 Q9UBN7 8/20 0.38
▸ 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
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ HDAC10 Q969S8 6/20 0.36
▸ HDAC8 Q9BY41 5/20 0.36
▸ HDAC3 O15379 4/20 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
SCHEMBL28928840 0.88 PKM (0.51) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28928863 0.86 DAO (0.49) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28928857 0.85 DAO (0.48) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28929420 0.85 DAO (0.48) DAOPKMCREBBPHRH3VIP
SCHEMBL28928874 0.84 DAO (0.46) DAOPKMCREBBPHRH3ALDH1A1
SCHEMBL28962240 0.81 DAO (0.42) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28929186 0.74 PKM (0.47) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28928838 0.72 PKM (0.56) DAOPKMCREBBPHRH3ADRA2A
SCHEMBL28929419 0.69 PKM (0.52) DAOPKMCREBBPVIPKCNA6
SCHEMBL28746425 0.68 CREBBP (0.60) 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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