SCHEMBL28928843

SCHEMBL28928843

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KCNMA1 Q12791 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL28929404 0.87 NPC1 (0.62) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28928872 0.86 LMNA (0.62) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28929179 0.86 NPC1 (0.47) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28928818 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL28928827 0.83 CYP1A2 (0.46) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28928862 0.79 KDM4E (0.41) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28928861 0.77 PKM (0.50) NPC1RAB9ASMN1; SMN2KDM4ETAAR1
SCHEMBL28928830 0.74 MEN1 (0.64) POLBNPC1RAB9ASMN1; SMN2ATM
SCHEMBL13840109 0.74 KDM4E (0.56) POLBKMT2AHSD17B10KDM4ELMNA
SCHEMBL14830283 0.74 BCAT2 (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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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