SCHEMBL7590368

SCHEMBL7590368

COc1ccccc1S(=O)(=O)Nc1cc(Br)c(Br)cc1NS(=O)(=O)c1ccccc1OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.58
TSHR P16473 3/20 0.56
NPC1 O15118 1/20 0.56
SLC40A1 Q9NP59 1/20 0.54
BRD4 O60885 2/20 0.52
ALDH1A1 P00352 2/20 0.50
RAD52 P43351 1/20 0.50
MAPT P10636 1/20 0.50
MRGPRX1 Q96LB2 1/20 0.49
WDR5 P61964 1/20 0.49
SLC22A12 Q96S37 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.49
FABP4 P15090 1/20 0.48

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
SCHEMBL7569855 0.84 SLC22A12 (0.58) ACLYBRD4ALDH1A1SLC22A12SMN1; SMN2
SCHEMBL12393189 0.78 ACLY (0.58) ACLYTSHRNPC1SLC40A1BRD4
SCHEMBL23014188 0.78 ALDH1A1 (0.71) ACLYTSHRNPC1SLC40A1BRD4
SCHEMBL7364604 0.77 CA12 (0.59) ACLYBRD4ALDH1A1SLC22A12SMN1; SMN2
SCHEMBL31612009 0.77 SLC40A1 (0.56) ACLYTSHRNPC1SLC40A1BRD4
SCHEMBL27908886 0.77 TSHR (0.69) ACLYTSHRNPC1ALDH1A1MAPT
SCHEMBL28146309 0.76 HTR6 (0.55) ACLYTSHRNPC1SLC40A1BRD4
SCHEMBL29782232 0.76 SLC40A1 (0.66) ACLYTSHRNPC1SLC40A1BRD4
SCHEMBL13852850 0.76 BRD4 (0.56) ACLYTSHRNPC1SLC40A1BRD4
SCHEMBL7594059 0.76 CCR2 (0.55) ACLYTSHRALDH1A1MAPTSLC22A12

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