SCHEMBL6887290

SCHEMBL6887290

COC(=O)C=Cc1c[nH]c(=O)nc1N[C@@H]1O[C@H](COC(C)=O)[C@H](OS(C)(=O)=O)[C@H]1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 17/20 0.41
CA9 Q16790 17/20 0.41
CA1 P00915 16/20 0.41
CA2 P00918 16/20 0.41
CA14 Q9ULX7 10/20 0.36
XDH P47989 1/20 0.36
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
PRKCA P17252 1/20 0.34
AKT1 P31749 1/20 0.34
PTK2 Q05397 1/20 0.34

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
SCHEMBL6880004 0.93 CA12 (0.43) CA12CA9CA1CA2CA14
SCHEMBL6884820 0.91 CA12 (0.43) CA12CA9CA1CA2CA14
SCHEMBL6888318 0.91 CA12 (0.43) CA12CA9CA1CA2CA14
SCHEMBL6888688 0.90 CA12 (0.42) CA12CA9CA1CA2CA14
SCHEMBL6887344 0.89 CA12 (0.38) CA12CA9CA1CA2CA14
SCHEMBL6886807 0.89 CA12 (0.43) CA12CA9CA1CA2CA14
SCHEMBL6880486 0.85 CA12 (0.46) CA12CA9CA1CA2CA14
SCHEMBL6889184 0.85 CA12 (0.46) CA12CA9CA1CA2CA14
SCHEMBL6884769 0.84 CA12 (0.45) CA12CA9CA1CA2CA14
SCHEMBL6886880 0.84 CA12 (0.45) CA12CA9CA1CA2CA14

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