SCHEMBL28902180

SCHEMBL28902180

O=c1c(CNc2ccc(C(F)(F)F)cc2)coc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.70
▸ MAOA P21397 1/20 0.70
▸ CA12 O43570 6/20 0.65
▸ CA9 Q16790 6/20 0.65
▸ CA1 P00915 5/20 0.65
▸ CA2 P00918 5/20 0.65
▸ MAPT P10636 1/20 0.51
▸ CYP11B1 P15538 2/20 0.47
▸ CYP11B2 P19099 2/20 0.47
▸ CYP17A1 P05093 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ BRD4 O60885 1/20 0.44
▸ EPHX2 P34913 2/20 0.41
▸ SIGMAR1 Q99720 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
SCHEMBL28902183 0.86 MAOB (0.70) MAOBMAOACA12CA9CA1
SCHEMBL28902172 0.85 MAOB (0.76) MAOBMAOACA12CA9CA1
SCHEMBL28902190 0.85 MAOB (0.79) MAOBMAOACA12CA9CA1
SCHEMBL30167103 0.85 MAOB (0.79) MAOBMAOACA12CA9CA1
SCHEMBL30787489 0.84 MAOB (0.66) MAOBMAOACA12CA9CA1
SCHEMBL28902198 0.83 MAOB (0.76) MAOBMAOACA12CA9CA1
SCHEMBL30787484 0.83 MAOB (0.76) MAOBMAOACA12CA9CA1
SCHEMBL30167102 0.83 MAOB (1.00) MAOBMAOACA12CA9CA1
SCHEMBL28902170 0.83 MAOB (1.00) MAOBMAOACA12CA9CA1
SCHEMBL30787457 0.83 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567419-A Synthesis method of 3-amine methyl primary ketone derivative 深圳职业技术大学 2024-02-20 — — CN disclosed
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
Send feedback