SCHEMBL28567997

SCHEMBL28567997

CC(C)(C)OC(=O)N1CCN(Cc2ccn(Cc3ccc(Br)cc3Br)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
PLA2G7 Q13093 1/20 0.42
MGLL Q99685 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ADAM17 P78536 1/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
LMNA P02545 2/20 0.38
FAAH O00519 2/20 0.38
GFER P55789 1/20 0.38
SETD7 Q8WTS6 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
SCHEMBL28562492 0.93 VEGFA (0.68) VEGFAEGLN1PLA2G7MGLLABHD6
SCHEMBL17005964 0.89 VEGFA (0.52) VEGFAEGLN1PLA2G7MGLLABHD6
SCHEMBL28569013 0.89 VEGFA (0.69) VEGFAEGLN1MMP1MMP9MMP13
SCHEMBL17005963 0.89 VEGFA (0.52) VEGFAEGLN1LMNAGFERKDM4E
SCHEMBL28567361 0.87 VEGFA (0.83) VEGFAEGLN1MMP1MMP9MMP13
SCHEMBL28563655 0.87 VEGFA (0.75) VEGFAEGLN1PLA2G7MGLLABHD6
SCHEMBL28582330 0.86 VEGFA (0.72) VEGFAEGLN1MMP1MMP9MMP13
SCHEMBL17005920 0.85 VEGFA (0.53) VEGFAEGLN1LMNAFAAHGFER
SCHEMBL28571955 0.85 VEGFA (0.67) VEGFAEGLN1MMP1MMP9MMP13
SCHEMBL28914231 0.85 VEGFA (0.76) VEGFAEGLN1MMP1MMP9MMP13

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