SCHEMBL6880486

SCHEMBL6880486

CC(=O)OC[C@H]1O[C@@H](Nc2nc(=O)[nH]cc2C)[C@H](OC(C)=O)[C@H]1OS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 16/20 0.46
CA1 P00915 16/20 0.46
CA2 P00918 16/20 0.46
CA9 Q16790 16/20 0.46
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
XDH P47989 1/20 0.41
CA14 Q9ULX7 11/20 0.40
PRKCA P17252 1/20 0.37
AKT1 P31749 1/20 0.37
PTK2 Q05397 1/20 0.37
PTPN1 P18031 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
SCHEMBL6880015 0.92 CA12 (0.49) CA12CA1CA2CA9LMNA
SCHEMBL6889184 0.91 CA12 (0.46) CA12CA1CA2CA9LMNA
SCHEMBL6886463 0.90 CA12 (0.45) CA12CA1CA2CA9LMNA
SCHEMBL6886880 0.90 CA12 (0.45) CA12CA1CA2CA9LMNA
SCHEMBL6885703 0.90 CA12 (0.45) CA12CA1CA2CA9LMNA
SCHEMBL6884769 0.90 CA12 (0.45) CA12CA1CA2CA9LMNA
SCHEMBL6887575 0.90 CA12 (0.45) CA12CA1CA2CA9LMNA
SCHEMBL6882066 0.89 CA12 (0.47) CA12CA1CA2CA9LMNA
SCHEMBL6881960 0.89 CA12 (0.43) CA12CA1CA2CA9LMNA
SCHEMBL6885642 0.89 CA12 (0.44) CA12CA1CA2CA9LMNA

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