SCHEMBL9140489

SCHEMBL9140489

Nc1ccn([C@@H]2O[C@H](CO)[C@H]2CO)c(=O)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.74
MTOR P42345 2/20 0.74
THRB P10828 1/20 0.74
MDM2 Q00987 1/20 0.74
NCOA1 Q15788 1/20 0.74
NCOA3 Q9Y6Q9 1/20 0.74
PDE3A Q14432 3/20 0.62
PDE4D Q08499 1/20 0.62
SLC29A1 Q99808 1/20 0.62
MAPT P10636 3/20 0.53
CACNA1F O60840 2/20 0.53
ALB P02768 2/20 0.53
CACNA1D Q01668 2/20 0.53
CACNA1S Q13698 2/20 0.53
CACNA1C Q13936 2/20 0.53
NT5E P21589 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
GMNN O75496 1/20 0.46

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
SCHEMBL8886847 0.92 LMNA (0.70) LMNAMTORTHRBMDM2NCOA1
SCHEMBL6758928 0.91 LMNA (0.81) LMNAMTORTHRBMDM2NCOA1
SCHEMBL22941495 0.91 LMNA (0.81) LMNAMTORTHRBMDM2NCOA1
SCHEMBL10431780 0.91 LMNA (0.81) LMNAMTORTHRBMDM2NCOA1
SCHEMBL8888560 0.91 LMNA (0.69) LMNAMTORTHRBMDM2NCOA1
SCHEMBL9945543 0.91 LMNA (0.81) LMNAMTORTHRBMDM2NCOA1
SCHEMBL6758931 0.91 LMNA (0.81) LMNAMTORTHRBMDM2NCOA1
SCHEMBL6758933 0.91 LMNA (0.81) LMNAMTORTHRBMDM2NCOA1
SCHEMBL8889230 0.91 LMNA (0.69) LMNAMTORTHRBMDM2NCOA1
SCHEMBL8887676 0.91 LMNA (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420276-A Ring contraction via diazoketone intermediate, active against herpes ABBOTT LABORATORIES (US) 1995-05-30 US disclosed
EP-0433898-A2 Analogs of oxetanyl purines and pyrimidines ABBOTT LABORATORIES (US) 1991-06-26 EP disclosed