SCHEMBL7214645

SCHEMBL7214645

COc1cc(CNCCCNc2nc(=O)c3ccccc3[nH]2)c2[nH]cc(Cl)c2c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.61
MARS1 P56192 1/20 0.39

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
SCHEMBL8216716 0.90 SLC2A1 (0.73) SLC2A1
SCHEMBL5381846 0.85 SLC2A1 (0.81) SLC2A1
SCHEMBL7214640 0.82 SLC2A1 (0.43) SLC2A1
SCHEMBL5378927 0.81 SLC2A1 (0.63) SLC2A1
Hydrochloric Acid SCHEMBL5388598 0.81 SLC2A1 (0.63) SLC2A1
SCHEMBL178861 0.77 SLC2A1 (0.47) SLC2A1
Hydrochloric Acid SCHEMBL5919256 0.75 SLC2A1 (0.54) SLC2A1
SCHEMBL5379190 0.75 SLC2A1 (1.00) SLC2A1
Hydrochloric Acid SCHEMBL8211807 0.74 POLB (0.51)
SCHEMBL178859 0.74 MARS1 (0.51) SLC2A1MARS1

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
JP-2003500397-A 2003-01-07 JP claimed
WO-2000071524-A1 2-NH-PYRIDONES AND PYRIMIDONES AS MRS INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-11-30 WO claimed
WO-2000071524-A1 2-NH-PYRIDONES AND PYRIMIDONES AS MRS INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-11-30 WO disclosed