SCHEMBL8199165

SCHEMBL8199165

CSC(C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(OC(C)=O)C2OC(C)=O)cc1I

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL7206533 1.00 LMNA (0.40) LMNATDP1ALDH1A1TP53MAPT
SCHEMBL3817265 0.87 LMNA (0.46) LMNATDP1ALDH1A1TP53MAPT
SCHEMBL7210851 0.86 LMNA (0.45) LMNATDP1ALDH1A1TP53MAPT
SCHEMBL8198893 0.86 LMNA (0.45) LMNATDP1ALDH1A1TP53MAPT
SCHEMBL7204645 0.86 LMNA (0.54) LMNA
SCHEMBL8194179 0.86 LMNA (0.54) LMNA
SCHEMBL3817191 0.85 LMNA (0.51) LMNATDP1ALDH1A1TP53MAPT
SCHEMBL8192660 0.83 LMNA (0.42) LMNATDP1ALDH1A1TP53MAPT
SCHEMBL3821749 0.83 LMNA (0.56) LMNAALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL7209690 0.83 LMNA (0.42) LMNATDP1ALDH1A1TP53MAPT

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-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