SCHEMBL3817191

SCHEMBL3817191

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
ADK P55263 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.32
THRB P10828 1/20 0.32
HIF1A Q16665 1/20 0.32
TP53 P04637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ACHE P22303 2/20 0.30
ADORA3 P0DMS8 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
SCHEMBL3821749 0.95 LMNA (0.56) LMNAADKSMN1; SMN2THRBHIF1A
SCHEMBL3821461 0.94 LMNA (0.59) LMNAADKSMN1; SMN2THRBHIF1A
SCHEMBL3817265 0.93 LMNA (0.46) LMNAADKSMN1; SMN2THRBHIF1A
SCHEMBL8198789 0.90 LMNA (0.46) LMNAADKSMN1; SMN2THRBHIF1A
SCHEMBL8193927 0.90 LMNA (0.49) LMNAADKSMN1; SMN2THRBHIF1A
SCHEMBL7209555 0.90 LMNA (0.46) LMNAADKSMN1; SMN2THRBHIF1A
SCHEMBL7205814 0.90 LMNA (0.49) LMNAADKSMN1; SMN2THRBHIF1A
SCHEMBL7210851 0.90 LMNA (0.45) LMNAADKSMN1; SMN2THRBHIF1A
SCHEMBL7209654 0.90 LMNA (0.49) LMNAADKSMN1; SMN2THRBHIF1A
SCHEMBL8198893 0.90 LMNA (0.45) LMNAADKSMN1; SMN2THRBHIF1A

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