SCHEMBL7206740

SCHEMBL7206740

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C)O[C@H]1n1cc(I)c(NC(=O)OCCSc2ccccc2)nc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
ADK P55263 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.33
RECQL P46063 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL8194020 1.00 LMNA (0.42) LMNAADKALDH1A1TSHRMAPT
SCHEMBL7210851 0.89 LMNA (0.45) LMNAADKALDH1A1MAPTSMN1; SMN2
SCHEMBL8198893 0.89 LMNA (0.45) LMNAADKALDH1A1MAPTSMN1; SMN2
SCHEMBL8198789 0.88 LMNA (0.46) LMNAADKSMN1; SMN2
SCHEMBL7209555 0.88 LMNA (0.46) LMNAADKSMN1; SMN2
SCHEMBL7204636 0.87 LMNA (0.56) LMNAADKALDH1A1TSHRMAPT
SCHEMBL8197032 0.87 LMNA (0.56) LMNAADKALDH1A1TSHRMAPT
SCHEMBL3817191 0.86 LMNA (0.51) LMNAADKALDH1A1MAPTSMN1; SMN2
SCHEMBL8193476 0.85 NAAA (0.46) LMNAADKTDP1ACHE
SCHEMBL7210256 0.85 NAAA (0.46) LMNAADKTDP1ACHE

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