SCHEMBL28874647

SCHEMBL28874647

O=c1c(CNc2ccc(Cl)cc2)coc2cc(O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.56
▸ MAOA P21397 3/20 0.52
▸ CA12 O43570 5/20 0.48
▸ CA9 Q16790 4/20 0.48
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ HSD17B3 P37058 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ AKR1B10 O60218 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL28902175 0.88 KDM4E (0.57) MAOBMAOACA12CA9CA1
SCHEMBL28902193 0.88 MAOB (0.52) MAOBMAOACA12CA9CA1
SCHEMBL28902168 0.87 HSD17B3 (0.63) MAOBMAOACA12CA9CA1
SCHEMBL30167104 0.87 HSD17B3 (0.63) MAOBMAOACA12CA9CA1
SCHEMBL28960194 0.84 MAOB (0.49) MAOBMAOACA12CA9CA1
SCHEMBL28902174 0.84 KDM4E (0.60) MAOBMAOAKDM4EALDH1A1NPC1
SCHEMBL28902171 0.82 MAOA (0.55) MAOBMAOACA12CA9CA1
SCHEMBL28902165 0.82 MAOB (0.53) MAOBMAOACA12CA9CA1
SCHEMBL30787457 0.82 MAOB (0.76) MAOBMAOACA12CA9CA1
SCHEMBL28902198 0.79 MAOB (0.76) MAOBMAOACA12CA9CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115246805-B Chromone-aniline alpha-glucosidase inhibitor and preparation method and application thereof 贵州医科大学 2024-01-19 — — CN disclosed
CN-115260140-B Chromone-phenoxymethyl alpha-glucosidase inhibitor and preparation method and application thereof 贵州医科大学 2024-01-19 — — CN disclosed
CN-115260140-A Chromone-phenoxymethyl alpha-glucosidase inhibitor and preparation method and application thereof 贵州医科大学 2022-11-01 — — CN disclosed
CN-115246805-A Chromone-aniline alpha-glucosidase inhibitor and preparation method and application thereof 贵州医科大学 2022-10-28 — — CN disclosed
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