SCHEMBL5808658

SCHEMBL5808658

O=C(O)c1nc(Cl)cc([AsH2])c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
S1PR2 O95136 1/20 0.39
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
LMNA P02545 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRIK3 Q13003 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL2347014 0.79 TDP1 (0.44) TDP1S1PR2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL15032599 0.76 ALDH1A1 (0.48) TDP1S1PR2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL116082 0.76 TDP1 (0.50) TDP1S1PR2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL29390992 0.76 TDP1 (0.50) TDP1S1PR2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL3218994 0.76 TDP1 (0.50) TDP1S1PR2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL1404403 0.74 TDP1 (0.48) TDP1S1PR2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL28002634 0.74 TDP1 (0.48) TDP1S1PR2ALDH1A1SMN1; SMN2MAPK1
Potassium SCHEMBL30575490 0.74 TDP1 (0.48) TDP1S1PR2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL27691281 0.73 TDP1 (0.41) TDP1S1PR2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL2345281 0.72 TDP1 (0.38) TDP1S1PR2ALDH1A1SMN1; SMN2MAPK1

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
WO-2006009964-A2 NOVEL ESTERS AS USEFUL HERBICIDAL COMPOUNDS CORET JOEL MARCEL (US) 2006-01-26 WO claimed