SCHEMBL15969638

SCHEMBL15969638

Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)c3ccc(S(=O)(=O)F)cc3)C(O)C2O)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 1.00
GSK3A P49840 3/20 0.73
RPS6KA3 P51812 3/20 0.73
MAPK14 Q16539 3/20 0.73
ABCB1 P08183 1/20 0.71
HINT1 P49773 7/20 0.65
NT5E P21589 1/20 0.58
KRAS P01116 1/20 0.56
HSPA2 P54652 1/20 0.56
TGM2 P21980 1/20 0.54

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
SCHEMBL5219707 0.88 GSK3A (0.80) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL6551642 0.86 PNP (0.75) PNPGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL9607792 0.83 ABCB1 (1.00) PNPGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL4629734 0.83 ABCB1 (1.00) PNPGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL611618 0.83 ABCB1 (1.00) PNPGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL9605293 0.83 ABCB1 (1.00) PNPGSK3ARPS6KA3MAPK14ABCB1
Hydrochloric Acid SCHEMBL19666771 0.83 ABCB1 (0.98) PNPGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL217117 0.82 HINT1 (0.80) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL2675390 0.81 HINT1 (0.71) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL9295418 0.81 HINT1 (0.75) PNPGSK3ARPS6KA3MAPK14HINT1

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
US-20140242600-A1 IMAGING THE HETEROGENEOUS UPTAKE OF RADIOLABELED MOLECULES IN SINGLE LIVING CELLS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-08-28 US disclosed