SCHEMBL28902175

SCHEMBL28902175

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HPGD P15428 4/20 0.57
HSD17B10 Q99714 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
GAA P10253 1/20 0.57
PPARG P37231 1/20 0.57
PPARD Q03181 1/20 0.57
PPARA Q07869 1/20 0.57
MAOB P27338 3/20 0.52
MAOA P21397 2/20 0.52
CA12 O43570 4/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
HSD17B3 P37058 1/20 0.48
CYP19A1 P11511 2/20 0.46
ESR1 P03372 2/20 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
SCHEMBL28902193 0.88 MAOB (0.52) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL28874647 0.88 MAOB (0.56) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL30167104 0.87 HSD17B3 (0.63) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL28902168 0.87 HSD17B3 (0.63) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL28960194 0.87 MAOB (0.49) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL28902174 0.84 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL28902165 0.82 MAOB (0.53) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL28902171 0.82 MAOA (0.55) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL28902172 0.82 MAOB (0.76) MAOBMAOACA12CA1CA2
SCHEMBL28902198 0.79 MAOB (0.76) KDM4EALDH1A1GAAMAOBMAOA

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