SCHEMBL7206792

SCHEMBL7206792

C#Cc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c(=O)nc1NC(=O)OCc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ADK P55263 3/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NAMPT P43490 1/20 0.37
P2RY6 Q15077 5/20 0.36
CYP3A4 P08684 1/20 0.35
P2RY14 Q15391 2/20 0.35
NT5E P21589 1/20 0.35
HDAC1 Q13547 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
FAAH O00519 1/20 0.34
P2RY2 P41231 1/20 0.34
P2RY4 P51582 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL8193873 1.00 LMNA (0.49) LMNAADKMEN1ALDH1A1MAPT
SCHEMBL3817196 0.91 LMNA (0.53) LMNAADKP2RY6P2RY14NT5E
SCHEMBL8194004 0.88 LMNA (0.51) LMNAADKMEN1ALDH1A1MAPT
SCHEMBL7206578 0.88 LMNA (0.51) LMNAADKMEN1ALDH1A1MAPT
SCHEMBL3824364 0.87 LMNA (0.49) LMNAADKMEN1KMT2AP2RY6
SCHEMBL3823222 0.86 LMNA (0.50) LMNAADKP2RY6P2RY14NT5E
SCHEMBL8193244 0.85 LMNA (0.49) LMNAADKMEN1ALDH1A1MAPT
SCHEMBL7204443 0.85 LMNA (0.49) LMNAADKMEN1ALDH1A1MAPT
SCHEMBL3821161 0.84 LMNA (0.56) LMNAADKP2RY6P2RY14NT5E
SCHEMBL3825870 0.84 LMNA (0.60) LMNAADKMAPTP2RY6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP claimed
EP-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
EP-1060183-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-20 EP disclosed
WO-1999040099-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-08-12 WO disclosed