SCHEMBL2597642

SCHEMBL2597642

ClCOc1ccnc(OCCl)n1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.35
SCN9A Q15858 1/20 0.30

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
SCHEMBL5883780 0.77 NUDT1 (0.59) NUDT1
SCHEMBL27773474 0.77 SCN9A (0.51) SCN9A
SCHEMBL3817644 0.74 MAPT (0.39) NUDT1
SCHEMBL28224216 0.72 ALDH1A1 (0.37)
SCHEMBL14764637 0.72 HTR7 (0.37)
SCHEMBL16608863 0.71 ALDH1A1 (0.38) NUDT1
SCHEMBL4264852 0.71 MAPK8 (0.43) NUDT1
SCHEMBL7788031 0.71
SCHEMBL4266406 0.69 MAPK8 (0.45) NUDT1
SCHEMBL28259128 0.69 NUDT1 (0.43) NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571856-A1 COMPOUNDS BTG International Limited (GB) 2013-03-27 EP disclosed
EP-2571872-A1 COMPOUNDS BTG International Limited (GB) 2013-03-27 EP disclosed
WO-2011144578-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO disclosed
WO-2011144577-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO disclosed