SCHEMBL28928830

SCHEMBL28928830

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ ATM Q13315 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KCNMA1 Q12791 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL28928859 0.86 POLB (0.52) RAB9ASMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL27855054 0.85 HDAC3 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28928823 0.85 LMNA (0.65) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28929418 0.82 NPC1 (0.59) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28928841 0.82 CYP1A2 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6200322 0.79 MEN1 (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15988682 0.78 RAB9A (1.00) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28928832 0.78 NPC1 (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23014293 0.76 MEN1 (0.52) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL23014479 0.76 KMT2A (0.73) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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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