SCHEMBL28567341

SCHEMBL28567341

COc1ccccc1Cn1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1=O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 3/20 0.68
▸ EGLN1 Q9GZT9 3/20 0.68
▸ KDM4E B2RXH2 5/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ P2RX3 P56373 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TSHR P16473 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL28566297 0.92 VEGFA (0.65) VEGFAEGLN1KDM4EALOX15P2RX3
SCHEMBL28914255 0.90 VEGFA (0.68) VEGFAEGLN1KDM4EALOX15P2RX3
SCHEMBL17005927 0.90 CYP2D6 (0.60) VEGFAEGLN1KDM4EALOX15ALDH1A1
SCHEMBL17005867 0.88 ALDH1A1 (0.54) VEGFAEGLN1KDM4EALOX15ALDH1A1
SCHEMBL28586368 0.88 VEGFA (0.71) VEGFAEGLN1KDM4EALDH1A1HTT
SCHEMBL28913770 0.88 EGLN1 (0.65) VEGFAEGLN1KDM4EP2RX3ALDH1A1
SCHEMBL28576610 0.88 VEGFA (0.65) VEGFAEGLN1KDM4EALDH1A1MEN1
SCHEMBL1770721 0.87 VEGFA (0.69) VEGFAEGLN1KDM4EP2RX3ALDH1A1
SCHEMBL28568911 0.87 VEGFA (0.69) VEGFAEGLN1KDM4EP2RX3ALDH1A1
SCHEMBL28569013 0.87 VEGFA (0.69) VEGFAEGLN1KDM4EALDH1A1MEN1

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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