SCHEMBL28928857

SCHEMBL28928857

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.48
▸ PKM P14618 2/20 0.48
▸ CREBBP Q92793 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ VIP P01282 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ KCNA6 P17658 1/20 0.38
▸ KCNA3 P22001 1/20 0.38
▸ KCNA4 P22459 1/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35

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 0.91 PKM (0.51) DAOPKMCREBBPVIPKCNA6
SCHEMBL28929420 0.88 DAO (0.48) DAOPKMCREBBPHTTVIP
SCHEMBL28928874 0.85 DAO (0.46) DAOPKMCREBBPHTTHRH3
SCHEMBL28928865 0.85 DAO (0.46) DAOPKMCREBBPL3MBTL1HTT
SCHEMBL28928854 0.85 PKM (0.52) DAOPKMCREBBPL3MBTL1HTT
SCHEMBL28962240 0.81 DAO (0.42) DAOPKMCREBBPHTTVIP
SCHEMBL28928838 0.75 PKM (0.56) DAOPKMCREBBPVIPKCNA6
SCHEMBL28928834 0.72 PKM (0.50) DAOPKMCREBBPL3MBTL1HTT
SCHEMBL28929419 0.72 PKM (0.52) DAOPKMCREBBPHTTVIP
SCHEMBL21587630 0.69 PKM (0.59) DAOPKMCREBBPHTTVIP

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
Send feedback