SCHEMBL28928861

SCHEMBL28928861

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.50
▸ CREBBP Q92793 1/20 0.46
▸ DAO P14920 1/20 0.44
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ VIP P01282 1/20 0.40
▸ KCNA6 P17658 1/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ KCNA4 P22459 1/20 0.39
▸ KCNA5 P22460 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ PYGL P06737 1/20 0.37

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
SCHEMBL28928851 0.91 PKM (0.53) PKMCREBBPDAONPC1RAB9A
SCHEMBL28928834 0.87 PKM (0.50) PKMCREBBPDAONPC1RAB9A
SCHEMBL28962238 0.84 PKM (0.47) PKMCREBBPDAOSMN1; SMN2KDM4E
SCHEMBL28929186 0.84 PKM (0.47) PKMCREBBPDAONPC1RAB9A
SCHEMBL28928850 0.80 PKM (0.44) PKMCREBBPDAONPC1RAB9A
SCHEMBL28928843 0.77 POLB (0.50) NPC1RAB9ASMN1; SMN2KDM4ETAAR1
SCHEMBL28929419 0.76 PKM (0.52) PKMCREBBPDAONPC1RAB9A
SCHEMBL28929188 0.76 PKM (0.42) PKMCREBBPDAOEGFRERBB2
SCHEMBL28929420 0.72 DAO (0.48) PKMCREBBPDAONPC1SMN1; SMN2
SCHEMBL28929179 0.72 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4ETAAR1

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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