SCHEMBL7204677

SCHEMBL7204677

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 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.32
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
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
SCHEMBL8193895 1.00 LMNA (0.42) LMNATDP1ACHEALDH1A1TP53
SCHEMBL3817213 0.89 LMNA (0.49) LMNATDP1ACHEALDH1A1TP53
SCHEMBL3821748 0.88 LMNA (0.53) LMNATDP1ACHEALDH1A1TP53
SCHEMBL8193849 0.88 LMNA (0.56) LMNAMAPTADK
SCHEMBL7205763 0.88 LMNA (0.56) LMNAMAPTADK
SCHEMBL8194085 0.88 LMNA (0.44) LMNATDP1ADK
SCHEMBL7206807 0.88 LMNA (0.44) LMNATDP1ADK
SCHEMBL3819216 0.87 LMNA (0.44) LMNATDP1ACHEALDH1A1TP53
SCHEMBL3820460 0.87 LMNA (0.57) LMNATDP1ACHEALDH1A1TP53
SCHEMBL7208717 0.85 LMNA (0.42) LMNATDP1ADK

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