SCHEMBL7204636

SCHEMBL7204636

C[C@H]1O[C@@H](n2cc(I)c(NC(=O)OCCSc3ccccc3)nc2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
ADK P55263 17/20 0.48
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8197032 1.00 LMNA (0.56) LMNAADKALDH1A1TSHRMAPT
SCHEMBL7204800 0.88 LMNA (0.61) LMNAADK
SCHEMBL8193258 0.88 LMNA (0.61) LMNAADK
SCHEMBL3819600 0.88 LMNA (0.58) LMNAADK
SCHEMBL7204806 0.87 LMNA (0.54) LMNAADKALDH1A1TSHRMAPT
SCHEMBL8193592 0.87 LMNA (0.54) LMNAADKALDH1A1TSHRMAPT
SCHEMBL7204496 0.87 LMNA (0.54) LMNAADKALDH1A1TSHRMAPT
SCHEMBL8192179 0.87 LMNA (0.54) LMNAADKALDH1A1TSHRMAPT
SCHEMBL8184962 0.87 LMNA (0.61) LMNAADK
SCHEMBL7205870 0.87 LMNA (0.61) 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 6 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-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-20 EP claimed
WO-1999040099-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-08-12 WO 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