SCHEMBL7004703

SCHEMBL7004703

O=C(CCNCCCCCCNc1nsc2nccn12)NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 10/20 0.52
TGM1 P22735 4/20 0.49
NR3C2 P08235 2/20 0.38
KAT6A Q92794 1/20 0.32
SLC22A12 Q96S37 2/20 0.32
CXCR4 P61073 1/20 0.32
SLC2A9 Q9NRM0 1/20 0.31
HDAC1 Q13547 2/20 0.31
PIK3C3 Q8NEB9 2/20 0.31
PIK3CA P42336 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL7009658 0.86 F13A1 (0.67) F13A1TGM1NR3C2CXCR4HDAC1
SCHEMBL7005365 0.86 F13A1 (0.67) F13A1TGM1NR3C2CXCR4HDAC1
SCHEMBL7002966 0.80 F13A1 (0.52) F13A1TGM1NR3C2HDAC1HDAC8
SCHEMBL7004258 0.80 F13A1 (0.52) F13A1TGM1NR3C2HDAC1HDAC8
SCHEMBL7004697 0.79 F13A1 (0.51) F13A1TGM1NR3C2KAT6AHDAC1
SCHEMBL7004255 0.78 F13A1 (0.48) F13A1TGM1NR3C2
SCHEMBL7005641 0.77 F13A1 (0.65) F13A1TGM1NR3C2
SCHEMBL7005895 0.76 F13A1 (0.48) F13A1TGM1NR3C2KAT6APIK3C3
SCHEMBL7010746 0.76 F13A1 (0.48) F13A1TGM1NR3C2KAT6APIK3C3
SCHEMBL7004829 0.75 F13A1 (0.76) F13A1TGM1NR3C2

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
EP-1348710-A1 Sulfonamide derivatives of 3-substituted imidazo[1,2-D]-1,2,4-thiadiazoles and 3-substituted-[1,2,4]thiadiazolo[4,5-A]benzimidazole as inhibitors of fibrin cross-linking and transglutaminases Apotex Inc. (CA) 2003-10-01 EP disclosed