SCHEMBL28570596

SCHEMBL28570596

CC(C)(C)OC(=O)N1CCN(Cc2ccn(Cc3ccc(I)cc3I)c(=O)c2O)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 4/20 0.67
▸ EGLN1 Q9GZT9 4/20 0.67
▸ SETD7 Q8WTS6 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ IDO2 Q6ZQW0 1/20 0.37
▸ DTYMK P23919 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP9 P14780 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
SCHEMBL28568934 0.93 VEGFA (0.67) VEGFAEGLN1SETD7IDO1TDO2
SCHEMBL17005849 0.89 VEGFA (0.52) VEGFAEGLN1ALDH1A1
SCHEMBL17005903 0.89 VEGFA (0.52) VEGFAEGLN1ALDH1A1
SCHEMBL28568911 0.89 VEGFA (0.69) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL28563647 0.87 VEGFA (0.83) VEGFAEGLN1SETD7IDO1TDO2
SCHEMBL28586421 0.87 VEGFA (0.75) VEGFAEGLN1SETD7IDO1TDO2
SCHEMBL28576613 0.86 VEGFA (0.72) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL17005855 0.85 VEGFA (0.53) VEGFAEGLN1ALDH1A1
SCHEMBL28572935 0.85 VEGFA (0.76) VEGFAEGLN1SETD7IDO1TDO2
SCHEMBL28565755 0.85 VEGFA (0.67) 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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