SCHEMBL28569013

SCHEMBL28569013

CC(C)(C)OC(=O)N1CCN(Cc2ccn(Cc3ccccc3Br)c(=O)c2O)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 4/20 0.69
EGLN1 Q9GZT9 4/20 0.69
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
KDM1A O60341 1/20 0.47
LMNA P02545 1/20 0.47
FAAH O00519 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ADAM17 P78536 1/20 0.41
POLB P06746 1/20 0.40
DTYMK P23919 1/20 0.40

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
SCHEMBL28571955 0.92 VEGFA (0.67) VEGFAEGLN1ALDH1A1KDM4EKDM1A
SCHEMBL28563005 0.90 VEGFA (0.69) VEGFAEGLN1ALDH1A1KDM4EKDM1A
SCHEMBL28562492 0.89 VEGFA (0.68) VEGFAEGLN1ALDH1A1KDM4ELMNA
SCHEMBL28586368 0.89 VEGFA (0.71) VEGFAEGLN1ALDH1A1KDM4ELMNA
SCHEMBL17005969 0.89 VEGFA (0.54) VEGFAEGLN1ALDH1A1KDM4ELMNA
SCHEMBL28567997 0.89 VEGFA (0.67) VEGFAEGLN1ALDH1A1KDM4EKDM1A
SCHEMBL1770721 0.88 VEGFA (0.69) VEGFAEGLN1ALDH1A1KDM4EKDM1A
SCHEMBL1770463 0.88 VEGFA (0.75) VEGFAEGLN1ALDH1A1KDM4EKDM1A
SCHEMBL28568911 0.88 VEGFA (0.69) VEGFAEGLN1ALDH1A1KDM4EKDM1A
SCHEMBL17005936 0.88 KDM4E (0.55) VEGFAEGLN1ALDH1A1KDM4ELMNA

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