SCHEMBL1919146

SCHEMBL1919146

CC(C)N(C(C)C)[PH](O)(CCC#N)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 9/20 0.58
NT5E P21589 1/20 0.54
GSK3A P49840 2/20 0.52
RPS6KA3 P51812 2/20 0.52
MAPK14 Q16539 2/20 0.52
PNP P00491 1/20 0.52
TGM2 P21980 1/20 0.51
FUT5 Q11128 1/20 0.48
KRAS P01116 5/20 0.48

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
SCHEMBL17597174 0.87 POLB (0.55) HINT1NT5EPNPFUT5
SCHEMBL30591564 0.87 HINT1 (0.49) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL3925834 0.82 HINT1 (0.64) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL1919142 0.81 HINT1 (0.59) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL5180584 0.79 HINT1 (0.69) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL9297812 0.79 LMNA (0.52)
SCHEMBL1138806 0.79 HINT1 (0.71) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL3278964 0.79 KDM4E (0.48) HINT1FUT5
SCHEMBL6899834 0.78 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL5964928 0.78 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326656-A2 RNA SYNTHESIS - PHOSPHORAMIDITES FOR SYNTHETIC RNA IN THE REVERSE DIRECTION, AND APPLICATION IN CONVENIENT INTRODUCTION OF LIGANDS, CHROMOPHORES AND MODIFICATIONS OF SYNTHETIC RNA AT THE 3' - END Chemgenes Corporation (US) 2011-06-01 EP disclosed
WO-2010027512-A9 RNA SYNTHESIS - PHOSPHORAMIDITES FOR SYNTHETIC RNA IN THE REVERSE DIRECTION, AND APPLICATION IN CONVENIENT INTRODUCTION OF LIGANDS, CHROMOPHORES AND MODIFICATIONS OF SYNTHETIC RNA AT THE 3' - END CHEMGENES CORPORATION (US) 2010-04-22 WO disclosed
WO-2010027512-A2 RNA SYNTHESIS - PHOSPHORAMIDITES FOR SYNTHETIC RNA IN THE REVERSE DIRECTION, AND APPLICATION IN CONVENIENT INTRODUCTION OF LIGANDS, CHROMOPHORES AND MODIFICATIONS OF SYNTHETIC RNA AT THE 3' - END CHEMGENES CORPORATION (US) 2010-03-11 WO disclosed