SCHEMBL3821749

SCHEMBL3821749

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
ADK P55263 1/20 0.35
RAB9A P51151 7/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 5/20 0.33
CASP1 P29466 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 5/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
STAT1 P42224 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
THRB P10828 1/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31

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
SCHEMBL3821461 0.97 LMNA (0.59) LMNAADKRAB9AHPGDNPC1
SCHEMBL3817191 0.95 LMNA (0.51) LMNAADKRAB9AHPGDNPC1
SCHEMBL8193927 0.92 LMNA (0.49) LMNAADKSMN1; SMN2ALDH1A1MAPT
SCHEMBL7205814 0.92 LMNA (0.49) LMNAADKSMN1; SMN2ALDH1A1MAPT
SCHEMBL7209654 0.92 LMNA (0.49) LMNAADKSMN1; SMN2ALDH1A1MAPT
SCHEMBL8193747 0.92 LMNA (0.49) LMNAADKSMN1; SMN2ALDH1A1MAPT
SCHEMBL3817265 0.91 LMNA (0.46) LMNAADKSMN1; SMN2ALDH1A1MAPT
SCHEMBL7204782 0.91 LMNA (0.47) LMNAADKSMN1; SMN2THRBHIF1A
SCHEMBL8196905 0.91 LMNA (0.47) LMNAADKSMN1; SMN2THRBHIF1A
SCHEMBL8192678 0.90 LMNA (0.47) 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