SCHEMBL7589375

SCHEMBL7589375

O=S(=O)(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
TSHR P16473 1/20 0.77
KEAP1 Q14145 1/20 0.76
NFE2L2 Q16236 1/20 0.76
PKM P14618 1/20 0.62
MCOLN3 Q8TDD5 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ALDH1A1 P00352 1/20 0.61
GAA P10253 1/20 0.61
CHEK1 O14757 1/20 0.59
CDK8 P49336 1/20 0.59
NEK2 P51955 1/20 0.59
LIMK1 P53667 1/20 0.59

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
SCHEMBL7854392 0.90 TSHR (0.70) MEN1KMT2ATSHRKEAP1NFE2L2
SCHEMBL13875339 0.87 ALDH1A1 (0.71) MEN1KMT2ATSHRKEAP1NFE2L2
SCHEMBL6561655 0.87 MEN1 (0.66) MEN1KMT2ATSHRKEAP1NFE2L2
SCHEMBL7574096 0.87 MEN1 (0.71) MEN1KMT2ATSHRKEAP1NFE2L2
SCHEMBL30737629 0.87 MEN1 (0.66) MEN1KMT2ATSHRKEAP1NFE2L2
SCHEMBL7569823 0.85 PTPN1 (0.67) MEN1KMT2ATSHRKEAP1NFE2L2
SCHEMBL7578880 0.84 KEAP1 (0.76) MEN1KMT2ATSHRKEAP1NFE2L2
SCHEMBL3782482 0.84 CA1 (0.74) MEN1KMT2ATSHRKEAP1NFE2L2
SCHEMBL7571620 0.84 POLB (0.68) MEN1KMT2ATSHRKEAP1NFE2L2
SCHEMBL31681353 0.84 FFAR4 (0.62) MEN1KMT2ATSHRKEAP1NFE2L2

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
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
EP-0991625-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-12 EP disclosed
WO-1998057937-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 WO disclosed