SCHEMBL3825147

SCHEMBL3825147

CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1C#N

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.76
ADK P55263 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.35
P2RY2 P41231 1/20 0.33
ALDH1A1 P00352 1/20 0.33
AHCY P23526 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2A1 P68400 1/20 0.32

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
SCHEMBL3821913 0.91 LMNA (0.76) LMNAADKL3MBTL1ALDH1A1AHCY
SCHEMBL3824213 0.90 LMNA (0.75) LMNAADKL3MBTL1P2RY2ALDH1A1
SCHEMBL3818845 0.90 LMNA (0.75) LMNAADKL3MBTL1P2RY2ALDH1A1
SCHEMBL3826637 0.90 LMNA (0.75) LMNAADKL3MBTL1P2RY2ALDH1A1
SCHEMBL3817582 0.90 LMNA (0.75) LMNAADKL3MBTL1ALDH1A1AHCY
SCHEMBL3824216 0.90 LMNA (0.75) LMNAADKL3MBTL1P2RY2ALDH1A1
SCHEMBL3819223 0.90 LMNA (0.75) LMNAADKL3MBTL1P2RY2ALDH1A1
SCHEMBL3817720 0.90 LMNA (0.73) LMNAADKL3MBTL1ALDH1A1AHCY
SCHEMBL3818943 0.89 LMNA (0.72) LMNAADK
SCHEMBL3820400 0.89 LMNA (0.72) LMNAADKALDH1A1

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 5 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 claimed
EP-0882734-A2 5'-Deoxy-cytidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-12-09 EP claimed
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