SCHEMBL3819600

SCHEMBL3819600

C[C@H]1O[C@@H](n2cc(I)c(NC(=O)OCCc3ccccc3)nc2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
ADK P55263 7/20 0.49
P2RY6 Q15077 2/20 0.39
NAAA Q02083 1/20 0.38
P2RY2 P41231 1/20 0.37
P2RY4 P51582 1/20 0.37

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
SCHEMBL8193617 0.89 LMNA (0.73) LMNAADKP2RY6NAAA
SCHEMBL284886 0.89 LMNA (0.73) LMNAADKP2RY6NAAA
SCHEMBL7206540 0.89 LMNA (0.58) LMNAADKP2RY6NAAA
SCHEMBL8192195 0.89 LMNA (0.58) LMNAADKP2RY6NAAA
SCHEMBL7208760 0.88 LMNA (0.62) LMNAADK
SCHEMBL8194090 0.88 LMNA (0.62) LMNAADK
SCHEMBL7204636 0.88 LMNA (0.56) LMNAADK
SCHEMBL8197032 0.88 LMNA (0.56) LMNAADK
SCHEMBL3821161 0.87 LMNA (0.56) LMNAADKP2RY6NAAA
SCHEMBL3818523 0.84 LMNA (0.80) LMNAADK

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