SCHEMBL28567439

SCHEMBL28567439

Cc1ccc(Cn2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(O)c2=O)c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 3/20 0.68
▸ EGLN1 Q9GZT9 3/20 0.68
▸ GRIN2B Q13224 5/20 0.45
▸ MGLL Q99685 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ COMT P21964 1/20 0.40
▸ SETD7 Q8WTS6 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ IDO2 Q6ZQW0 1/20 0.40
▸ EPHX2 P34913 1/20 0.39

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
SCHEMBL28572933 0.92 VEGFA (0.68) VEGFAEGLN1MGLLTP53COMT
SCHEMBL17005896 0.89 VEGFA (0.53) VEGFAEGLN1GRIN2BCOMT
SCHEMBL17005857 0.89 VEGFA (0.53) VEGFAEGLN1GRIN2BTP53
SCHEMBL28586368 0.88 VEGFA (0.71) VEGFAEGLN1
SCHEMBL28562999 0.87 VEGFA (0.85) VEGFAEGLN1TP53IDO1TDO2
SCHEMBL28567368 0.86 VEGFA (0.77) VEGFAEGLN1TP53SETD7IDO1
SCHEMBL17005884 0.86 VEGFA (0.53) VEGFAEGLN1GRIN2BCOMT
SCHEMBL28913769 0.86 VEGFA (0.73) VEGFAEGLN1TP53IDO1TDO2
SCHEMBL28570561 0.85 VEGFA (0.79) VEGFAEGLN1TP53IDO1TDO2
SCHEMBL28573781 0.85 VEGFA (0.68) VEGFAEGLN1MGLLCOMTIDO1

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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