SCHEMBL7206807

SCHEMBL7206807

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 1/20 0.33
ADK P55263 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
SCHEMBL8194085 1.00 LMNA (0.44) LMNATDP1ADKTHRBSMN1; SMN2
SCHEMBL3817191 0.89 LMNA (0.51) LMNATDP1ADKTHRBSMN1; SMN2
SCHEMBL7208717 0.88 LMNA (0.42) LMNATDP1ADK
SCHEMBL7204677 0.88 LMNA (0.42) LMNATDP1ADK
SCHEMBL8193895 0.88 LMNA (0.42) LMNATDP1ADK
SCHEMBL7205985 0.87 LMNA (0.58) LMNAADK
SCHEMBL8196428 0.87 LMNA (0.58) LMNAADK
SCHEMBL3821749 0.87 LMNA (0.56) LMNAADKTHRBSMN1; SMN2HIF1A
SCHEMBL3817265 0.87 LMNA (0.46) LMNATDP1ADKTHRBSMN1; SMN2
SCHEMBL7205230 0.86 LMNA (0.40) LMNATDP1THRBSMN1; SMN2HIF1A

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