SCHEMBL7208717

SCHEMBL7208717

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

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.32
ADK P55263 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
SCHEMBL3820421 0.89 LMNA (0.49) LMNATDP1ADK
SCHEMBL8193930 0.88 LMNA (0.56) LMNAADK
SCHEMBL7205842 0.88 LMNA (0.56) LMNAADK
SCHEMBL8194085 0.88 LMNA (0.44) LMNATDP1ADK
SCHEMBL7206807 0.88 LMNA (0.44) LMNATDP1ADK
SCHEMBL3818930 0.87 LMNA (0.44) LMNATDP1ADK
SCHEMBL3817626 0.87 LMNA (0.57) LMNAADK
SCHEMBL8193895 0.85 LMNA (0.42) LMNATDP1ADK
SCHEMBL7204677 0.85 LMNA (0.42) LMNATDP1ADK
SCHEMBL3819094 0.80 LMNA (0.58) LMNAADK

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
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