SCHEMBL28570561

SCHEMBL28570561

Cc1ccc(Cn2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(O)c2=O)cc1C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 5/20 0.79
▸ EGLN1 Q9GZT9 5/20 0.79
▸ IDO1 P14902 1/20 0.46
▸ TDO2 P48775 1/20 0.46
▸ IDO2 Q6ZQW0 1/20 0.46
▸ FAAH O00519 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ P2RX7 Q99572 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CHRM2 P08172 1/20 0.38

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
SCHEMBL28562999 0.90 VEGFA (0.85) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL28567368 0.89 VEGFA (0.77) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL28563647 0.89 VEGFA (0.83) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL17005848 0.89 VEGFA (0.62) VEGFAEGLN1FAAHLMNAMEN1
SCHEMBL17005945 0.89 VEGFA (0.62) VEGFAEGLN1FAAHLMNA
SCHEMBL28568963 0.89 VEGFA (0.82) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL28572935 0.89 VEGFA (0.76) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL28914231 0.89 VEGFA (0.76) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL28913769 0.89 VEGFA (0.73) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL28571988 0.89 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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