SCHEMBL7568328

SCHEMBL7568328

O=[N+]([O-])c1cc(Br)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
SLC40A1 Q9NP59 2/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
CLK1 P49759 1/20 0.47
KDM1A O60341 1/20 0.47
CCR2 P41597 1/20 0.46
ACLY P53396 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL7568254 0.84 MEN1 (0.57) GAAMEN1KMT2ALMNANPSR1
SCHEMBL28690955 0.82 MAPT (0.64) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL1139402 0.82 MAPT (0.64) GAAMEN1KMT2ALMNANPSR1
SCHEMBL7578587 0.81 MEN1 (0.52) GAAMEN1KMT2ALMNANPSR1
SCHEMBL28186748 0.81 MAPT (0.54) GAAMEN1KMT2ALMNAMAPT
SCHEMBL7565044 0.81 MEN1 (0.54) GAAMEN1KMT2ALMNANPSR1
SCHEMBL28261728 0.79 LMNA (0.52) GAAMEN1KMT2ALMNANPSR1
SCHEMBL29666321 0.79 MEN1 (0.55) GAAMEN1KMT2ALMNANPSR1
SCHEMBL18302531 0.79 MEN1 (0.55) GAAMEN1KMT2ALMNANPSR1
SCHEMBL14458106 0.78 CCR9 (0.57) MEN1KMT2ALMNAMAPTALDH1A1

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-2002083629-A1 BISSULFONAMIDE DERIVATIVES AS INHIBITORS OF DEHYDROQUINATE SYNTHETASES AND TYPE II DEHYDROQUINASES ARROW THERAPEUTICS LIMITED (GB) 2002-10-24 WO disclosed