SCHEMBL8199279

SCHEMBL8199279

CC(=O)OC1C(OC(C)=O)[C@@H](C)O[C@H]1n1cc(I)c(NC(=O)OCc2cccnc2)nc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 1/20 0.36
CYP3A4 P08684 2/20 0.35
HDAC1 Q13547 8/20 0.34
HDAC3 O15379 6/20 0.34
HDAC2 Q92769 6/20 0.34
HDAC4 P56524 5/20 0.34
HDAC7 Q8WUI4 5/20 0.34
HDAC10 Q969S8 5/20 0.34
HDAC11 Q96DB2 5/20 0.34
HDAC8 Q9BY41 5/20 0.34
HDAC6 Q9UBN7 5/20 0.34
HDAC9 Q9UKV0 5/20 0.34
HDAC5 Q9UQL6 5/20 0.34
KDM1A O60341 1/20 0.33

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
SCHEMBL7209552 1.00 LMNA (0.38) LMNAMEN1ALDH1A1MAPTHTT
SCHEMBL7206578 0.87 LMNA (0.51) LMNAMEN1ALDH1A1MAPTHTT
SCHEMBL8194004 0.87 LMNA (0.51) LMNAMEN1ALDH1A1MAPTHTT
SCHEMBL3817265 0.84 LMNA (0.46) LMNAALDH1A1MAPTADORA3
SCHEMBL7210256 0.83 NAAA (0.46) LMNA
SCHEMBL8193476 0.83 NAAA (0.46) LMNA
SCHEMBL3817191 0.82 LMNA (0.51) LMNAALDH1A1MAPTADORA3
SCHEMBL7209654 0.82 LMNA (0.49) LMNAALDH1A1MAPT
SCHEMBL8193747 0.82 LMNA (0.49) LMNAALDH1A1MAPT
SCHEMBL8192660 0.81 LMNA (0.42) LMNAALDH1A1MAPT

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