SCHEMBL28572935

SCHEMBL28572935

CC(C)(C)OC(=O)N1CCN(Cc2ccn(Cc3ccc(I)c(I)c3)c(=O)c2O)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 5/20 0.76
▸ EGLN1 Q9GZT9 5/20 0.76
▸ IDO1 P14902 1/20 0.44
▸ TDO2 P48775 1/20 0.44
▸ IDO2 Q6ZQW0 1/20 0.44
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 1/20 0.36

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
SCHEMBL17005980 0.89 VEGFA (0.60) VEGFAEGLN1MAPK1
SCHEMBL28563647 0.89 VEGFA (0.83) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL17005982 0.89 VEGFA (0.59) VEGFAEGLN1
SCHEMBL28586421 0.89 VEGFA (0.75) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL28570561 0.89 VEGFA (0.79) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL28576613 0.88 VEGFA (0.72) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL1770282 0.87 VEGFA (0.83) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL28914231 0.87 VEGFA (0.76) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL28568934 0.87 VEGFA (0.67) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL28571988 0.87 VEGFA (0.79) VEGFAEGLN1IDO1TDO2IDO2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106232120-B Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2- (1H) -ones 爱尔皮奥治疗有限公司 2021-01-08 — — CN disclosed
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