SCHEMBL6815503

SCHEMBL6815503

N#Cc1ccc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cc1NS(N)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 18/20 0.54
BCAT2 O15382 17/20 0.54
KIF11 P52732 1/20 0.42

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
SCHEMBL29779349 0.79 BCAT1 (0.62) BCAT1BCAT2
SCHEMBL24826936 0.79 BCAT1 (0.62) BCAT1BCAT2
SCHEMBL8188639 0.78 BCAT2 (0.61) BCAT1BCAT2
SCHEMBL1573401 0.76 BCAT2 (0.58) BCAT1BCAT2
SCHEMBL7038819 0.76 BCAT1 (0.72) BCAT1BCAT2
SCHEMBL7033756 0.75 BCAT2 (0.57) BCAT1BCAT2
SCHEMBL7959029 0.74 BCAT1 (0.59) BCAT1BCAT2
SCHEMBL8318049 0.72 BCAT1 (0.56) BCAT1BCAT2
SCHEMBL2418119 0.71 KIF11 (0.67) KIF11
SCHEMBL23195555 0.70 BCAT1 (0.79) BCAT1BCAT2

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
WO-2004007467-A1 NOVEL 3-(3-[AMINOSULFONYLAMINO]-4-CYANO-PHENYL)-6-TRIFLUOROMETHYL-URACILS BASF AKTIENGESELLSCHAFT (DE) 2004-01-22 WO claimed
WO-2004007467-A1 NOVEL 3-(3-[AMINOSULFONYLAMINO]-4-CYANO-PHENYL)-6-TRIFLUOROMETHYL-URACILS BASF AKTIENGESELLSCHAFT (DE) 2004-01-22 WO disclosed
WO-2004007467-A1 NOVEL 3-(3-[AMINOSULFONYLAMINO]-4-CYANO-PHENYL)-6-TRIFLUOROMETHYL-URACILS BASF AKTIENGESELLSCHAFT (DE) 2004-01-22 WO disclosed
WO-2004007467-A1 NOVEL 3-(3-[AMINOSULFONYLAMINO]-4-CYANO-PHENYL)-6-TRIFLUOROMETHYL-URACILS BASF AKTIENGESELLSCHAFT (DE) 2004-01-22 WO disclosed