SCHEMBL3820232

SCHEMBL3820232

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
ADK P55263 15/20 0.40
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
PMP22 Q01453 1/20 0.37
HBB P68871 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL25963230 0.88 LMNA (0.68) LMNAADKTSHRMAPTPMP22
SCHEMBL3819080 0.86 LMNA (0.51) LMNAADKTSHRMAPTPMP22
SCHEMBL8194179 0.85 LMNA (0.54) LMNAADK
SCHEMBL7204645 0.85 LMNA (0.54) LMNAADK
SCHEMBL8194090 0.84 LMNA (0.62) LMNAADK
SCHEMBL7208760 0.84 LMNA (0.62) LMNAADK
SCHEMBL7204504 0.84 LMNA (0.51) LMNAADKSMN1; SMN2
SCHEMBL7204507 0.83 LMNA (0.57) LMNAADK
SCHEMBL8193382 0.83 LMNA (0.57) LMNAADK
SCHEMBL3818523 0.82 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