SCHEMBL7205783

SCHEMBL7205783

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 9)

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
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL8198924 1.00 LMNA (0.52) LMNAADKTSHRMAPTPMP22
SCHEMBL8194179 0.87 LMNA (0.54) LMNAADK
SCHEMBL7204645 0.87 LMNA (0.54) LMNAADK
SCHEMBL8203611 0.86 LMNA (0.60) LMNAADKTSHRMAPTPMP22
SCHEMBL8203607 0.86 LMNA (0.60) LMNAADKTSHRMAPTPMP22
SCHEMBL7206030 0.86 LMNA (0.58) LMNAADKTSHRMAPTPMP22
SCHEMBL8192374 0.86 LMNA (0.58) LMNAADKTSHRMAPTPMP22
SCHEMBL3817605 0.85 LMNA (0.66) LMNAADKTSHRMAPTPMP22
SCHEMBL8194027 0.84 LMNA (0.52) LMNAADKTSHRMAPTPMP22
SCHEMBL7205111 0.84 LMNA (0.52) 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 6 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-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-20 EP claimed
WO-1999040099-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-08-12 WO 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