SCHEMBL28566297

SCHEMBL28566297

COc1cccc(Cn2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(O)c2=O)c1OC

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 3/20 0.65
▸ EGLN1 Q9GZT9 3/20 0.65
▸ ALDH1A1 P00352 6/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KDM4E B2RXH2 7/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ P2RX3 P56373 2/20 0.44
▸ RAB9A P51151 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL28567341 0.92 VEGFA (0.68) VEGFAEGLN1ALDH1A1KDM4EMEN1
SCHEMBL17005870 0.91 ALDH1A1 (0.52) VEGFAEGLN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28914255 0.90 VEGFA (0.68) VEGFAEGLN1ALDH1A1KDM4EMEN1
SCHEMBL17005853 0.89 ALDH1A1 (0.51) VEGFAEGLN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL17005961 0.88 KDM4E (0.54) VEGFAEGLN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28573781 0.84 VEGFA (0.68) VEGFAEGLN1ALDH1A1KDM4EMEN1
SCHEMBL28586368 0.84 VEGFA (0.71) VEGFAEGLN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28576610 0.84 VEGFA (0.65) VEGFAEGLN1ALDH1A1KDM4EMEN1
SCHEMBL28913770 0.84 EGLN1 (0.65) VEGFAEGLN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28568931 0.83 VEGFA (0.73) VEGFAEGLN1ALDH1A1KDM4EMEN1

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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