SCHEMBL7584014

SCHEMBL7584014

O=C(O)c1nc(Cl)c(Cl)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
LMNA P02545 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIK2 Q13002 1/20 0.38
GRIK3 Q13003 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIK4 Q16099 1/20 0.38
GRIK5 Q16478 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SORT1 Q99523 1/20 0.37
ALDH1A1 P00352 3/20 0.36

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
SCHEMBL827009 0.81 TDP1 (0.45) TDP1GRIN2DGRIN3BLMNAGRIK1
Hydrochloric Acid SCHEMBL9310900 0.79 TDP1 (0.44) TDP1GRIN2DGRIN3BLMNAGRIK1
Potassium SCHEMBL9658910 0.79 TDP1 (0.44) TDP1GRIN2DGRIN3BLMNAGRIK1
SCHEMBL11675795 0.79 TDP1 (0.44) TDP1GRIN2DGRIN3BLMNAGRIK1
SCHEMBL30050749 0.76 TDP1 (0.50) TDP1GRIN2DGRIN3BLMNAGRIK1
SCHEMBL29746637 0.76 ALDH1A1 (0.48) TDP1GRIN2DGRIN3BLMNAGRIK1
SCHEMBL7587086 0.76 KEAP1 (0.48) TDP1GRIN2DGRIN3BLMNAGRIK1
SCHEMBL13771182 0.76 ALDH1A1 (0.48) TDP1GRIN2DGRIN3BLMNAGRIK1
SCHEMBL20540820 0.74 TDP1 (0.40) TDP1GRIN2DGRIN3BLMNAGRIK1
SCHEMBL17607619 0.73 ALDH1A1 (0.46) TDP1ALDH1A1SMN1; SMN2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246802-A1 4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2002-10-09 EP disclosed
WO-2001051468-A1 4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2001-07-19 WO disclosed