SCHEMBL9246490

SCHEMBL9246490

O=c1c(Sc2ccccc2)coc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.51
▸ MAOA P21397 5/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ ADORA2B P29275 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ PGAM1 P18669 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ CYP17A1 P05093 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 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
SCHEMBL11639718 0.79 MAOB (0.51) MAOBMAOAPTPN1ADORA2BKDM4E
SCHEMBL8786734 0.79 MAOB (0.51) MAOBMAOAPTPN1ADORA2BKDM4E
SCHEMBL11394273 0.79 MAOB (0.51) MAOBMAOAPTPN1ADORA2BKDM4E
SCHEMBL9618068 0.76 MAOB (0.57) MAOBMAOAPTPN1ADORA2BKDM4E
SCHEMBL29016986 0.75 MAOB (0.47) MAOBMAOAPTPN1ADORA2BKDM4E
SCHEMBL9618120 0.75 MAOB (0.60) MAOBMAOAPTPN1ADORA2BKDM4E
SCHEMBL11405457 0.75 PTGS2 (0.50) MAOBMAOAPTPN1ADORA2BSMN1; SMN2
Benzene SCHEMBL29096007 0.71 MAOB (0.62) MAOBMAOAPTPN1ADORA2BKDM4E
Isoflavone SCHEMBL8028 0.69 ALDH1A1 (0.66) MAOBMAOAPTPN1ADORA2BKDM4E
Isoflavone SCHEMBL31264756 0.69 ALDH1A1 (0.66) MAOBMAOAPTPN1ADORA2BKDM4E

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
JP-7188209-A — — None — — JP disclosed
JP-H07188209-A 3-PHENYLTHIOCHROMONE COMPOUND AND ALDOSE REDUCTASE INHIBITOR NKK CORP 1995-07-25 — — JP disclosed
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