SCHEMBL29125853

SCHEMBL29125853

O=c1[nH]nc(COc2ccc(F)cc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.45
▸ MAOB P27338 8/20 0.41
▸ APP P05067 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL29125964 0.83 MAOB (0.41) DAOMAOBAPPNR4A2KDM4C
SCHEMBL15652091 0.83 MAOB (0.43) DAOMAOBAPPMAOAGAA
SCHEMBL29125705 0.83 SMN1; SMN2 (0.50) MAOBNPC1GAARAB9A
SCHEMBL29125822 0.83 RAB9A (0.54) DAONPC1RAB9A
SCHEMBL29125818 0.80 TSHR (0.45) MAOBMAOANPC1RAB9A
SCHEMBL30788529 0.72 APP (0.50) APPNPC1RAB9A
SCHEMBL29125761 0.72 APP (0.50) APPNPC1RAB9A
SCHEMBL29125683 0.71 TSHR (0.51) KDM4CNPC1GAAMAPTRAB9A
SCHEMBL29125707 0.71 RAB9A (0.55) KDM4CNPC1MAPTRAB9A
SCHEMBL29125830 0.70 NISCH (0.49) NPC1GAAMAPTRAB9A

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-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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