SCHEMBL28902183

SCHEMBL28902183

O=c1c(CNc2cccc(C(F)(F)F)c2)coc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.70
▸ MAOA P21397 1/20 0.59
▸ CA12 O43570 4/20 0.55
▸ CA9 Q16790 4/20 0.55
▸ CA1 P00915 3/20 0.55
▸ CA2 P00918 3/20 0.55
▸ MAPT P10636 5/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ TP53 P04637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TNF P01375 3/20 0.46
▸ GAA P10253 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL28902180 0.86 MAOB (0.70) MAOBMAOACA12CA9CA1
SCHEMBL28902184 0.86 MAOB (0.53) MAOBMAOACA12CA9CA1
SCHEMBL28902190 0.82 MAOB (0.79) MAOBMAOACA12CA9CA1
SCHEMBL30167103 0.82 MAOB (0.79) MAOBMAOACA12CA9CA1
SCHEMBL30787481 0.81 MAOB (0.75) MAOBMAOACA12CA9CA1
SCHEMBL28902172 0.77 MAOB (0.76) MAOBMAOACA12CA9CA1
SCHEMBL28902181 0.77 MAOB (0.56) MAOBMAOACA12CA9CA1
SCHEMBL30787457 0.75 MAOB (0.76) MAOBMAOACA12CA9CA1
SCHEMBL30167102 0.75 MAOB (1.00) MAOBMAOACA12CA9CA1
SCHEMBL28902198 0.75 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 2 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-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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