SCHEMBL7589183

SCHEMBL7589183

O=S(=O)(Nc1cc(Br)cc(Br)c1NS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccccc1OC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.51
ALPL P05186 7/20 0.49
SLC22A12 Q96S37 4/20 0.48
BRD4 O60885 1/20 0.47
MRGPRX1 Q96LB2 1/20 0.47
AXL P30530 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
WDR5 P61964 1/20 0.42
IDH1 O75874 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.41
ACLY P53396 1/20 0.40

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
SCHEMBL7570846 0.81 SLC22A12 (0.62) SLC40A1ALPLSLC22A12WDR5
SCHEMBL22315142 0.72 SLC22A12 (0.59) SLC40A1ALPLSLC22A12BRD4MRGPRX1
SCHEMBL22252121 0.72 ALPL (0.61) SLC40A1ALPLBRD4WDR5IDH1
SCHEMBL10154346 0.72 ALPL (0.52) SLC40A1ALPLSLC22A12BRD4MRGPRX1
SCHEMBL21513749 0.72 ALPL (0.46) SLC40A1ALPLSLC22A12BRD4MRGPRX1
SCHEMBL29968601 0.72 ALPL (0.46) SLC40A1ALPLSLC22A12BRD4MRGPRX1
SCHEMBL26074505 0.72 MRGPRX1 (0.53) SLC40A1ALPLSLC22A12BRD4MRGPRX1
SCHEMBL6735794 0.71 ALPL (0.51) SLC40A1ALPLSLC22A12BRD4MRGPRX1
SCHEMBL27999788 0.71 ALPL (0.53) SLC40A1ALPLSLC22A12BRD4MRGPRX1
SCHEMBL31305132 0.71 SLC22A12 (0.48) SLC40A1ALPLSLC22A12BRD4MRGPRX1

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