SCHEMBL28913770

SCHEMBL28913770

COc1ccc(Cn2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(O)c2=O)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 2/20 0.65
▸ VEGFA P15692 1/20 0.65
▸ ALDH1A1 P00352 5/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MGLL Q99685 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ POLB P06746 3/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ P2RX3 P56373 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ ADAM17 P78536 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
SCHEMBL28576610 0.93 VEGFA (0.65) EGLN1VEGFAALDH1A1KDM4EMEN1
SCHEMBL17005898 0.91 ALDH1A1 (0.53) EGLN1VEGFAALDH1A1KDM4ETDP1
SCHEMBL17005893 0.89 ALDH1A1 (0.60) EGLN1VEGFAALDH1A1KDM4ETDP1
SCHEMBL28567341 0.88 VEGFA (0.68) EGLN1VEGFAALDH1A1KDM4EMEN1
SCHEMBL17005933 0.88 ALDH1A1 (0.57) EGLN1VEGFAALDH1A1KDM4ETDP1
SCHEMBL28566307 0.87 VEGFA (0.82) EGLN1VEGFAALDH1A1SMN1; SMN2MEN1
SCHEMBL28579853 0.86 VEGFA (0.74) EGLN1VEGFAALDH1A1KDM4ETDP1
SCHEMBL28572828 0.85 VEGFA (0.70) EGLN1VEGFAALDH1A1KDM4EGAA
SCHEMBL17028824 0.85 MEN1 (0.51) EGLN1VEGFAALDH1A1KDM4ETDP1
SCHEMBL28576436 0.84 VEGFA (0.75) EGLN1VEGFAALDH1A1KDM4ETDP1

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
Send feedback