SCHEMBL28928840

SCHEMBL28928840

O=C=C(CNC(=O)c1cc(Br)c[nH]1)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.51
▸ DAO P14920 2/20 0.51
▸ CREBBP Q92793 1/20 0.47
▸ VIP P01282 1/20 0.40
▸ KCNA6 P17658 1/20 0.40
▸ KCNA3 P22001 1/20 0.40
▸ KCNA4 P22459 1/20 0.40
▸ KCNA5 P22460 1/20 0.40
▸ IDO1 P14902 2/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.38
▸ OGG1 O15527 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ SCN9A Q15858 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL28928857 0.91 DAO (0.48) PKMDAOCREBBPVIPKCNA6
SCHEMBL28929420 0.91 DAO (0.48) PKMDAOCREBBPVIPKCNA6
SCHEMBL28928874 0.88 DAO (0.46) PKMDAOCREBBPHRH3POLB
SCHEMBL28928865 0.88 DAO (0.46) PKMDAOCREBBPVIPKCNA6
SCHEMBL28962240 0.84 DAO (0.42) PKMDAOCREBBPVIPKCNA6
SCHEMBL28928838 0.83 PKM (0.56) PKMDAOCREBBPVIPKCNA6
SCHEMBL28929419 0.75 PKM (0.52) PKMDAOCREBBPVIPKCNA6
SCHEMBL28928854 0.75 PKM (0.52) PKMDAOCREBBPVIPKCNA6
SCHEMBL28928873 0.72 DAO (0.49) PKMDAOCREBBPPOLBMEN1
SCHEMBL28746425 0.70 CREBBP (0.60) PKMDAOCREBBPVIPKCNA6

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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