SCHEMBL3821161

SCHEMBL3821161

C#Cc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c(=O)nc1NC(=O)OCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
ADK P55263 4/20 0.47
P2RY6 Q15077 3/20 0.39
NT5E P21589 1/20 0.38
P2RY14 Q15391 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NAAA Q02083 1/20 0.36

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
SCHEMBL3817196 0.91 LMNA (0.53) LMNAADKP2RY6NT5EP2RY14
SCHEMBL7210398 0.90 LMNA (0.56) LMNAADKP2RY6NT5EP2RY14
SCHEMBL8193744 0.90 LMNA (0.56) LMNAADKP2RY6NT5EP2RY14
SCHEMBL8198722 0.89 LMNA (0.60) LMNAADKP2RY6NT5EP2RY14
SCHEMBL7205091 0.89 LMNA (0.60) LMNAADKP2RY6NT5EP2RY14
SCHEMBL8192179 0.88 LMNA (0.54) LMNAADKP2RY6
SCHEMBL7204496 0.88 LMNA (0.54) LMNAADKP2RY6
SCHEMBL3820963 0.88 LMNA (0.66) LMNAADKP2RY6
SCHEMBL8193617 0.87 LMNA (0.73) LMNAADKP2RY6NT5EP2RY14
SCHEMBL284886 0.87 LMNA (0.73) LMNAADKP2RY6NT5EP2RY14

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