SCHEMBL7209690

SCHEMBL7209690

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C)O[C@H]1n1cc(I)c(NC(=O)OCC2CC2)nc1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ADK P55263 1/20 0.31
GALR3 O60755 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
SCHEMBL8192660 1.00 LMNA (0.42) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL7210264 0.96 LMNA (0.41) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL8192203 0.96 LMNA (0.41) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL8193206 0.96 LMNA (0.41) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL3817265 0.89 LMNA (0.46) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL3817191 0.87 LMNA (0.51) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL3821749 0.86 LMNA (0.56) LMNATHRBSMN1; SMN2HIF1AALDH1A1
SCHEMBL7211564 0.85 LMNA (0.37) LMNASMN1; SMN2ALDH1A1ADK
SCHEMBL285261 0.85 LMNA (0.51) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL8193927 0.85 LMNA (0.49) LMNATHRBSMN1; SMN2HIF1ATDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed