SCHEMBL6887312

SCHEMBL6887312

CCc1cn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)nc1NO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
MTOR P42345 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 2/20 0.52
THRB P10828 1/20 0.52
MDM2 Q00987 1/20 0.52
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
GMNN O75496 1/20 0.52
NFKB1 P19838 1/20 0.52
DNMT1 P26358 1/20 0.52
THPO P40225 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
BLM P54132 1/20 0.52
HBB P68871 1/20 0.52
PMP22 Q01453 1/20 0.52
MAPT P10636 1/20 0.49
CDA P32320 1/20 0.49
SLC5A2 P31639 3/20 0.47

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
SCHEMBL2801926 1.00 LMNA (0.52) LMNAMTORALDH1A1TP53THRB
SCHEMBL2803543 0.92 LMNA (0.49) LMNAMTORALDH1A1TP53THRB
SCHEMBL15011109 0.87 LMNA (0.53) LMNAMTORALDH1A1TP53THRB
SCHEMBL20668807 0.87 LMNA (0.53) LMNAMTORALDH1A1TP53THRB
SCHEMBL20668805 0.87 LMNA (0.53) LMNAMTORALDH1A1TP53THRB
SCHEMBL2801311 0.87 LMNA (0.53) LMNAMTORALDH1A1TP53THRB
SCHEMBL15010715 0.85 LMNA (0.54) LMNAMTORALDH1A1TP53THRB
SCHEMBL15010716 0.85 LMNA (0.54) LMNAMTORALDH1A1TP53THRB
SCHEMBL2801910 0.85 SLC5A2 (0.49) LMNAMTORALDH1A1TP53THRB
SCHEMBL20668770 0.84 LMNA (0.53) LMNAMTORALDH1A1TP53THRB

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