SCHEMBL18819443

SCHEMBL18819443

CN1CNc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.41
▸ GFER P55789 1/20 0.36
▸ DAO P14920 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ BRD2 P25440 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ KDM1A O60341 1/20 0.30
▸ YTHDF2 Q9Y5A9 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL18819722 0.79 EPHX2 (0.37) EPHX2GFERDAOALDH1A1KDM4E
SCHEMBL15075698 0.76 EPHX2 (0.39) EPHX2GFERKDM1A
SCHEMBL18819656 0.75 EPHX2 (0.35) EPHX2GFER
SCHEMBL18819094 0.74 EPHX2 (0.34) EPHX2GFERCYP3A4ALDH1A1YTHDF2
SCHEMBL15075645 0.73 ALDH1A1 (0.39) EPHX2GFERALDH1A1HPGDALOX15
SCHEMBL15075715 0.72 EPHX2 (0.35) EPHX2GFER
SCHEMBL18819567 0.67 EPHX2 (0.35) EPHX2GFERDAOCYP3A4MAPK1
SCHEMBL29148112 0.67 EPHX2 (0.42) EPHX2GFERDAOCYP3A4MAPK1
SCHEMBL11294427 0.66 EPHX2 (0.38) EPHX2GFERDAOCYP3A4MAPK1
SCHEMBL19987948 0.65 EPHX2 (0.41) EPHX2GFERDAOCYP3A4MAPK1

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
WO-2019171397-A1 SYNERGISTIC HERBAL COMPOSITIONS FOR THE TREATMENT OF OBESITY AND OVERWEIGHT LAILA NUTRACEUTICALS (IN) 2019-09-12 — — WO disclosed
WO-2017071606-A1 MEDICAL USE OF HYDROXYL PURINE COMPOUND 南京明德新药研发股份有限公司 2017-05-04 — — WO disclosed
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