SCHEMBL7591017

SCHEMBL7591017

COc1ccc(S(=O)(=O)Nc2cc(Br)c(Br)cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.67
NFE2L2 Q16236 1/20 0.67
ALDH1A1 P00352 4/20 0.65
TP53 P04637 1/20 0.65
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
HTT P42858 1/20 0.65
CA12 O43570 1/20 0.61
CA9 Q16790 1/20 0.61
FFAR4 Q5NUL3 1/20 0.60
CYP2C9 P11712 1/20 0.56
EDNRB P24530 1/20 0.56
EDNRA P25101 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPK1 P28482 3/20 0.56
TSHR P16473 2/20 0.55
ALOX15 P16050 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55

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
SCHEMBL7573915 0.84 LMNA (0.78) ALDH1A1LMNASMN1; SMN2HTTCA12
SCHEMBL7590717 0.81 KEAP1 (0.62) KEAP1NFE2L2ALDH1A1LMNAFFAR4
SCHEMBL18962990 0.80 ALDH1A1 (0.72) KEAP1NFE2L2ALDH1A1TP53LMNA
SCHEMBL789512 0.78 KEAP1 (0.55) KEAP1NFE2L2ALDH1A1TP53LMNA
SCHEMBL6927327 0.78 LMNA (0.69) KEAP1NFE2L2ALDH1A1TP53LMNA
SCHEMBL6563140 0.78 KEAP1 (0.70) KEAP1NFE2L2ALDH1A1TP53LMNA
SCHEMBL5955403 0.77 TRIM24 (0.63) KEAP1NFE2L2ALDH1A1TP53LMNA
SCHEMBL13633772 0.77 LMNA (0.71) KEAP1NFE2L2ALDH1A1TP53LMNA
SCHEMBL4608475 0.76 LMNA (0.67) KEAP1NFE2L2ALDH1A1TP53LMNA
SCHEMBL8752463 0.76 CA12 (1.00) KEAP1NFE2L2ALDH1A1LMNASMN1; SMN2

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-1239852-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS Arrow Therapeutics Limited (GB) 2002-09-18 EP disclosed
WO-2001028537-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS ARROW THERAPEUTICS LIMITED (GB) 2001-04-26 WO disclosed