SCHEMBL7573875

SCHEMBL7573875

COc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.55
NFE2L2 Q16236 2/20 0.55
SQSTM1 Q13501 1/20 0.55
FFAR4 Q5NUL3 2/20 0.55
LMNA P02545 6/20 0.53
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 4/20 0.53
TSHR P16473 3/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
JAK2 O60674 1/20 0.53
MEN1 O00255 3/20 0.53
GAA P10253 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
CCR2 P41597 1/20 0.49

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
SCHEMBL5955279 0.92 KEAP1 (0.53) KEAP1NFE2L2SQSTM1FFAR4LMNA
SCHEMBL7572445 0.84 KEAP1 (0.59) KEAP1NFE2L2SQSTM1FFAR4LMNA
SCHEMBL5955298 0.84 FFAR4 (0.71) KEAP1NFE2L2SQSTM1FFAR4LMNA
SCHEMBL7571563 0.82 STAT3 (0.61) KEAP1NFE2L2SQSTM1FFAR4LMNA
SCHEMBL5956219 0.81 KEAP1 (0.63) KEAP1NFE2L2SQSTM1FFAR4LMNA
SCHEMBL7597807 0.81 CCR2 (0.71) LMNACCR2
SCHEMBL7578507 0.80 KEAP1 (0.53) KEAP1NFE2L2SQSTM1FFAR4LMNA
SCHEMBL7571600 0.80 CYP2C9 (0.61) LMNAALDH1A1KMT2ATSHRHTT
SCHEMBL7590023 0.79 CCR2 (0.51) KEAP1NFE2L2LMNAALDH1A1KMT2A
SCHEMBL7571609 0.79 MAPT (0.54) KEAP1NFE2L2LMNAALDH1A1KMT2A

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