SCHEMBL9056539

SCHEMBL9056539

CCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.70
ADK P55263 1/20 0.35
RAB9A P51151 5/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
THRB P10828 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 3/20 0.33
CASP1 P29466 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 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

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
SCHEMBL12029798 0.97 LMNA (0.75) LMNAADKRAB9AHPGDTDP1
SCHEMBL13340646 0.97 LMNA (0.75) LMNAADKRAB9AHPGDTDP1
SCHEMBL285059 0.97 LMNA (0.75) LMNAADKRAB9AHPGDTDP1
SCHEMBL12302023 0.97 LMNA (0.75) LMNAADKRAB9AHPGDTDP1
SCHEMBL12302015 0.97 LMNA (0.75) LMNAADKRAB9AHPGDTDP1
SCHEMBL12945763 0.97 LMNA (0.75) LMNAADKRAB9AHPGDTDP1
SCHEMBL8196421 0.97 LMNA (0.75) LMNAADKRAB9AHPGDTDP1
SCHEMBL285464 0.96 LMNA (0.73) LMNAADKRAB9AHPGDTDP1
SCHEMBL8992747 0.96 LMNA (0.73) LMNAADKRAB9AHPGDTDP1
SCHEMBL16508681 0.96 LMNA (0.73) LMNAADKRAB9AHPGDTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602454-B1 N-Oxycarbonyl substituted 5'-deoxy-5-fluorocytidines HOFFMANN LA ROCHE (CH) 1996-04-24 EP claimed
EP-0602454-A1 N-Oxycarbonyl substituted 5'-deoxy-5-fluorocytidines F. HOFFMANN-LA ROCHE AG (CH) 1994-06-22 EP claimed
EP-0602454-B1 N-Oxycarbonyl substituted 5'-deoxy-5-fluorocytidines HOFFMANN LA ROCHE (CH) 1996-04-24 EP disclosed
EP-0602454-A1 N-Oxycarbonyl substituted 5'-deoxy-5-fluorocytidines F. HOFFMANN-LA ROCHE AG (CH) 1994-06-22 EP disclosed