SCHEMBL7206447

SCHEMBL7206447

C#Cc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c(=O)nc1NC(=O)OC1CCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.35
ADK P55263 11/20 0.34
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
PMP22 Q01453 1/20 0.33
HBB P68871 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
SCHEMBL3820513 0.91 LMNA (0.47) LMNASMN1; SMN2ADKTSHRMAPT
SCHEMBL3820226 0.87 LMNA (0.54) LMNASMN1; SMN2ADKTSHRMAPT
SCHEMBL8184516 0.86 LMNA (0.53) LMNAADK
SCHEMBL7206794 0.86 LMNA (0.53) LMNAADK
SCHEMBL7204504 0.86 LMNA (0.51) LMNASMN1; SMN2ADK
SCHEMBL7205865 0.85 LMNA (0.53) LMNAADK
SCHEMBL8193230 0.85 LMNA (0.53) LMNAADK
SCHEMBL7206423 0.84 LMNA (0.54) LMNASMN1; SMN2ADKTSHRMAPT
SCHEMBL8198393 0.84 LMNA (0.54) LMNASMN1; SMN2ADKTSHRMAPT
SCHEMBL3819080 0.84 LMNA (0.51) LMNASMN1; SMN2ADKTSHRMAPT

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