SCHEMBL28643489

SCHEMBL28643489

N=C(N)N[C@@]1(n2ccc(N)nc2=O)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
MTOR P42345 2/20 0.46
THRB P10828 1/20 0.46
MDM2 Q00987 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
PDE3A Q14432 3/20 0.44
PDE4D Q08499 1/20 0.44
SLC29A1 Q99808 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
CACNA1F O60840 2/20 0.35
ALB P02768 2/20 0.35
MAPT P10636 2/20 0.35
CACNA1D Q01668 2/20 0.35
CACNA1S Q13698 2/20 0.35
CACNA1C Q13936 2/20 0.35
PNP P00491 1/20 0.32
GMNN O75496 1/20 0.32

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
SCHEMBL28633723 0.82 POLG (0.44) POLB
SCHEMBL30514296 0.80 LMNA (0.53) LMNAMTORTHRBMDM2NCOA1
SCHEMBL30291285 0.79 LMNA (0.42) LMNAMTORTHRBMDM2NCOA1
SCHEMBL7036555 0.79 LMNA (0.43) LMNAMTORTHRBMDM2NCOA1
SCHEMBL23496606 0.79 LMNA (0.52) LMNAMTORTHRBMDM2NCOA1
SCHEMBL5491556 0.79 LMNA (0.52) LMNAMTORTHRBMDM2NCOA1
SCHEMBL22631542 0.79 LMNA (0.52) LMNAMTORTHRBMDM2NCOA1
SCHEMBL3432521 0.79 LMNA (0.52) LMNAMTORTHRBMDM2NCOA1
SCHEMBL366599 0.79 LMNA (0.52) LMNAMTORTHRBMDM2NCOA1
SCHEMBL331769 0.78 LMNA (0.49) LMNAMTORTHRBMDM2NCOA1

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-113423877-A Mutant tRNAs for codon expansion 中外制药株式会社 2021-09-21 CN disclosed