SCHEMBL6886930

SCHEMBL6886930

CS(=O)(=O)O[C@@H]1[C@@H](O)[C@H](c2nc3ncnc(Cl)c3[nH]2)O[C@@H]1CO

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
STAT6 P42226 1/20 0.38
HIF1A Q16665 1/20 0.38
PYGL P06737 3/20 0.31
ALDH1A1 P00352 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 1/20 0.30

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
SCHEMBL6885470 0.88 KDM4E (0.32) KDM4EGMNNLMNAMAPTBLM
SCHEMBL6880481 0.87 SMN1; SMN2 (0.34) KDM4EGMNNLMNAMAPTBLM
SCHEMBL6889023 0.86 LMNA (0.36) KDM4EGMNNLMNAMAPTBLM
SCHEMBL1796867 0.81 HIF1A (0.54) KDM4EGMNNLMNAMAPTBLM
SCHEMBL9657348 0.81 HIF1A (0.54) KDM4EGMNNLMNAMAPTBLM
SCHEMBL6886952 0.80 ACHE (0.33) KDM4EGMNNLMNAMAPTBLM
SCHEMBL6881897 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11422145 0.72 HIF1A (0.47) KDM4EGMNNLMNAMAPTBLM
SCHEMBL11442293 0.72 KDM4E (0.47) KDM4EGMNNLMNAMAPTBLM
SCHEMBL6886927 0.71 PNP (0.31) KDM4EGMNNLMNAMAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 WO disclosed