SCHEMBL3824364

SCHEMBL3824364

C#Cc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c(=O)nc1NC(=O)OCc1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
ADK P55263 3/20 0.39
P2RY6 Q15077 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RY14 Q15391 2/20 0.35
NT5E P21589 1/20 0.35
P2RY2 P41231 1/20 0.33
P2RY4 P51582 1/20 0.33
ADORA2A P29274 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SCN9A Q15858 1/20 0.33

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) LMNAADKP2RY6P2RY14NT5E
SCHEMBL3823222 0.91 LMNA (0.50) LMNAADKP2RY6P2RY14NT5E
SCHEMBL8193873 0.87 LMNA (0.49) LMNAADKP2RY6MEN1KMT2A
SCHEMBL7206792 0.87 LMNA (0.49) LMNAADKP2RY6MEN1KMT2A
SCHEMBL3825870 0.85 LMNA (0.60) LMNAADKP2RY6
SCHEMBL3821161 0.84 LMNA (0.56) LMNAADKP2RY6P2RY14NT5E
SCHEMBL7210398 0.83 LMNA (0.56) LMNAADKP2RY6P2RY14NT5E
SCHEMBL8193744 0.83 LMNA (0.56) LMNAADKP2RY6P2RY14NT5E
SCHEMBL3820963 0.82 LMNA (0.66) LMNAADKP2RY6
SCHEMBL3820226 0.81 LMNA (0.54) LMNAADKP2RY6

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