SCHEMBL28902181

SCHEMBL28902181

O=c1c(CNc2ccccc2C(F)(F)F)coc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.56
▸ MAOA P21397 1/20 0.56
▸ CA12 O43570 5/20 0.52
▸ CA9 Q16790 5/20 0.52
▸ CA1 P00915 4/20 0.52
▸ CA2 P00918 4/20 0.52
▸ PSMB5 P28074 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP11B1 P15538 3/20 0.44
▸ CYP11B2 P19099 3/20 0.44
▸ CYP17A1 P05093 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL28902178 0.83 MAOB (0.60) MAOBMAOACA12CA9CA1
SCHEMBL30787461 0.80 MAOB (0.67) MAOBMAOACA12CA9CA1
SCHEMBL28902180 0.80 MAOB (0.70) MAOBMAOACA12CA9CA1
SCHEMBL30787479 0.77 MAOB (0.60) MAOBMAOACA12CA9CA1
SCHEMBL28902183 0.77 MAOB (0.70) MAOBMAOACA12CA9CA1
SCHEMBL28902190 0.76 MAOB (0.79) MAOBMAOACA12CA9CA1
SCHEMBL30167103 0.76 MAOB (0.79) MAOBMAOACA12CA9CA1
SCHEMBL28902197 0.75 MAOB (0.57) MAOBMAOACA12CA9CA1
SCHEMBL28902172 0.75 MAOB (0.76) MAOBMAOACA12CA9CA1
SCHEMBL29215168 0.74 MAOB (0.51) 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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