SCHEMBL7205111

SCHEMBL7205111

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ADK P55263 8/20 0.38
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
PMP22 Q01453 1/20 0.31
HBB P68871 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
P2RY6 Q15077 1/20 0.30

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
SCHEMBL8194027 1.00 LMNA (0.52) LMNAADKTSHRMAPTPMP22
SCHEMBL3819387 0.91 LMNA (0.55) LMNAADKTSHRMAPTPMP22
SCHEMBL3817838 0.88 LMNA (0.56) LMNAADKTSHRMAPTPMP22
SCHEMBL3820493 0.87 LMNA (0.56) LMNAADKTSHRMAPTPMP22
SCHEMBL7204645 0.87 LMNA (0.54) LMNAADK
SCHEMBL8194179 0.87 LMNA (0.54) LMNAADK
SCHEMBL3825870 0.86 LMNA (0.60) LMNAADKTSHRMAPTPMP22
SCHEMBL3819513 0.86 LMNA (0.56) LMNAADKTSHRMAPTPMP22
SCHEMBL7209579 0.86 LMNA (0.58) LMNAADKTSHRMAPTPMP22
SCHEMBL3819315 0.86 LMNA (0.58) LMNAADKTSHRMAPTPMP22

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