SCHEMBL20059112

SCHEMBL20059112

C[C@H]1C[C@@H](CO)O[C@H]1n1cnc2c(Cl)nc(N)nc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
CYP2C19 P33261 1/20 0.46
ADORA3 P0DMS8 2/20 0.45
ADORA1 P30542 1/20 0.45
SLC29A1 Q99808 4/20 0.43
AHCY P23526 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PGK1 P00558 1/20 0.41
PGK2 P07205 1/20 0.41
PNP P00491 1/20 0.41
HTT P42858 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3A Q14432 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL13977142 1.00 NT5E (0.47) NT5ELMNATP53CYP2C19ADORA3
SCHEMBL23992616 0.89 AHCY (0.54) NT5ELMNACYP2C19ADORA3ADORA1
SCHEMBL13224455 0.88 LMNA (0.50) NT5ELMNATP53CYP2C19ADORA3
SCHEMBL8620546 0.87 NT5E (0.49) NT5ELMNATP53CYP2C19ADORA3
SCHEMBL8620551 0.87 NT5E (0.49) NT5ELMNATP53CYP2C19ADORA3
SCHEMBL18636243 0.85 CYP2C19 (0.44) CYP2C19ADORA3ADORA1SLC29A1AHCY
SCHEMBL10266353 0.85 ADORA3 (0.64) CYP2C19ADORA3ADORA1PGK1PGK2
SCHEMBL23992571 0.85 ADORA3 (0.64) CYP2C19ADORA3ADORA1PGK1PGK2
SCHEMBL1287306 0.85 CYP2C19 (0.44) CYP2C19ADORA3ADORA1SLC29A1AHCY
SCHEMBL15628203 0.85 CYP2C19 (0.44) CYP2C19ADORA3ADORA1SLC29A1AHCY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906579-B1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-04-18 EP disclosed