SCHEMBL28566307

SCHEMBL28566307

COc1ccc(Cn2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(O)c2=O)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 5/20 0.82
▸ EGLN1 Q9GZT9 5/20 0.82
▸ ALDH1A1 P00352 2/20 0.47
▸ MMP1 P03956 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ ADAM17 P78536 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL28579853 0.91 VEGFA (0.74) VEGFAEGLN1ALDH1A1MMP1MMP9
Izilendustat SCHEMBL1770480 0.90 VEGFA (1.00) VEGFAEGLN1ALDH1A1KDM1ASMN1; SMN2
SCHEMBL28562999 0.90 VEGFA (0.85) VEGFAEGLN1KDM1AMAPTLMNA
SCHEMBL17005887 0.90 VEGFA (0.66) VEGFAEGLN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28563647 0.89 VEGFA (0.83) VEGFAEGLN1KDM1ACA12CA1
SCHEMBL28567361 0.89 VEGFA (0.83) VEGFAEGLN1ALDH1A1MMP1MMP9
SCHEMBL1770282 0.89 VEGFA (0.83) VEGFAEGLN1ALDH1A1KDM1A
SCHEMBL17309749 0.89 VEGFA (0.83) VEGFAEGLN1ALDH1A1MAPT
SCHEMBL28572828 0.89 VEGFA (0.70) VEGFAEGLN1ALDH1A1MAPTLMNA
SCHEMBL17005929 0.88 VEGFA (0.63) VEGFAEGLN1ALDH1A1MAPTLMNA

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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