SCHEMBL7205814

SCHEMBL7205814

CCOCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1I

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
ADK P55263 1/20 0.33
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL8193927 1.00 LMNA (0.49) LMNAADKTHRBSMN1; SMN2HIF1A
SCHEMBL3821749 0.92 LMNA (0.56) LMNAADKTHRBSMN1; SMN2HIF1A
SCHEMBL3821461 0.91 LMNA (0.59) LMNAADKTHRBSMN1; SMN2HIF1A
SCHEMBL3817191 0.90 LMNA (0.51) LMNAADKTHRBSMN1; SMN2HIF1A
SCHEMBL3817265 0.90 LMNA (0.46) LMNAADKTHRBSMN1; SMN2HIF1A
SCHEMBL7209654 0.90 LMNA (0.49) LMNAADKTHRBSMN1; SMN2HIF1A
SCHEMBL8193747 0.90 LMNA (0.49) LMNAADKTHRBSMN1; SMN2HIF1A
SCHEMBL8193476 0.89 NAAA (0.46) LMNAADKTDP1NAAA
SCHEMBL7210256 0.89 NAAA (0.46) LMNAADKTDP1NAAA
SCHEMBL8196905 0.88 LMNA (0.47) LMNAADKTHRBSMN1; SMN2HIF1A

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