SCHEMBL7586565

SCHEMBL7586565

O=[N+]([O-])c1ccccc1-c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(NS(=O)(=O)c2ccc(Cl)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 8/20 0.41
PTPN1 P18031 8/20 0.41
PTPN5 P54829 8/20 0.41
HSPD1 P10809 3/20 0.41
HSPE1 P61604 3/20 0.41
TST Q16762 1/20 0.41
GSK3B P49841 1/20 0.40
CCR9 P51686 4/20 0.40
EIF4E P06730 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PGAM1 P18669 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL7573760 0.89 ALDH1A1 (0.47) CCR9EIF4EALDH1A1MAPTCRHBP
SCHEMBL7607342 0.89 CCR9 (0.43) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL7588736 0.87 CCR9 (0.45) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL7572137 0.87 GAA (0.42) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL7564229 0.87 GAA (0.42) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL7572678 0.85 GSK3B (0.42) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL7565871 0.84 GSK3B (0.46) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL7567847 0.82 ACLY (0.46) GSK3BALDH1A1MAPT
SCHEMBL7572797 0.81 ACLY (0.49) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL7569198 0.81 CCR9 (0.44) PTPN2PTPN1PTPN5HSPD1HSPE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002083629-A1 BISSULFONAMIDE DERIVATIVES AS INHIBITORS OF DEHYDROQUINATE SYNTHETASES AND TYPE II DEHYDROQUINASES ARROW THERAPEUTICS LIMITED (GB) 2002-10-24 WO disclosed