SCHEMBL3817265

SCHEMBL3817265

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
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 0.32
ACHE P22303 2/20 0.31
ADORA3 P0DMS8 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
SCHEMBL3817191 0.93 LMNA (0.51) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL3821749 0.91 LMNA (0.56) LMNATHRBSMN1; SMN2HIF1AALDH1A1
SCHEMBL7205814 0.90 LMNA (0.49) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL8193927 0.90 LMNA (0.49) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL3821461 0.90 LMNA (0.59) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL7209690 0.89 LMNA (0.42) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL8192660 0.89 LMNA (0.42) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL8198789 0.89 LMNA (0.46) LMNATHRBSMN1; SMN2HIF1AADK
SCHEMBL7209555 0.89 LMNA (0.46) LMNATHRBSMN1; SMN2HIF1AADK
SCHEMBL7210851 0.88 LMNA (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882734-B1 5'-Deoxy-cytidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-26 EP disclosed
US-6211166-B1 COADMINISTERED WITH A 5-FLUOROURACIL DERIVATIVE; ANTICARCINOGENIC AGENTS HOFFMAN-LA ROCHE INC. 2001-04-03 US disclosed
EP-0882734-A2 5'-Deoxy-cytidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-12-09 EP disclosed