SCHEMBL7206578

SCHEMBL7206578

C[C@H]1O[C@@H](n2cc(I)c(NC(=O)OCc3cccnc3)nc2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ADK P55263 8/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NAMPT P43490 1/20 0.38
CYP3A4 P08684 2/20 0.36
P2RY6 Q15077 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35

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
SCHEMBL8194004 1.00 LMNA (0.51) LMNAADKMEN1ALDH1A1MAPT
SCHEMBL7206792 0.88 LMNA (0.49) LMNAADKMEN1ALDH1A1MAPT
SCHEMBL8193873 0.88 LMNA (0.49) LMNAADKMEN1ALDH1A1MAPT
SCHEMBL8193244 0.88 LMNA (0.49) LMNAADKMEN1ALDH1A1MAPT
SCHEMBL7204443 0.88 LMNA (0.49) LMNAADKMEN1ALDH1A1MAPT
SCHEMBL7209552 0.87 LMNA (0.38) LMNAMEN1ALDH1A1MAPTHTT
SCHEMBL8199279 0.87 LMNA (0.38) LMNAMEN1ALDH1A1MAPTHTT
SCHEMBL3819600 0.83 LMNA (0.58) LMNAADKP2RY6
SCHEMBL7206540 0.82 LMNA (0.58) LMNAADKP2RY6
SCHEMBL8192195 0.82 LMNA (0.58) LMNAADKP2RY6

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