SCHEMBL28568931

SCHEMBL28568931

CC(C)(C)OC(=O)N1CCN(Cc2ccn(Cc3cccc(Cl)c3Cl)c(=O)c2O)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 4/20 0.73
▸ EGLN1 Q9GZT9 4/20 0.73
▸ ALDH1A1 P00352 3/20 0.46
▸ MGLL Q99685 3/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ APLNR P35414 1/20 0.39
▸ STS P08842 1/20 0.39
▸ CYP2A13 Q16696 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ PLA2G7 Q13093 1/20 0.39
▸ ABHD6 Q9BV23 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ RAB9A P51151 2/20 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
SCHEMBL1770463 0.92 VEGFA (0.75) VEGFAEGLN1ALDH1A1MGLLKDM4E
SCHEMBL28563641 0.90 VEGFA (0.75) VEGFAEGLN1ALDH1A1MGLLALOX15
SCHEMBL17005944 0.89 VEGFA (0.57) VEGFAEGLN1ALDH1A1MGLLALOX15
SCHEMBL17005953 0.89 ALDH1A1 (0.61) VEGFAEGLN1ALDH1A1ALOX15TDP1
SCHEMBL28573781 0.86 VEGFA (0.68) VEGFAEGLN1ALDH1A1MGLLKDM4E
SCHEMBL28586368 0.85 VEGFA (0.71) VEGFAEGLN1ALDH1A1TDP1KDM4E
SCHEMBL17309749 0.85 VEGFA (0.83) VEGFAEGLN1ALDH1A1CHRM2CHRM4
SCHEMBL17005919 0.85 VEGFA (0.59) VEGFAEGLN1ALDH1A1KDM4EPOLB
SCHEMBL28571955 0.85 VEGFA (0.67) VEGFAEGLN1ALDH1A1KDM4EPOLB
SCHEMBL28576404 0.85 VEGFA (0.67) VEGFAEGLN1ALDH1A1MGLLALOX15

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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