SCHEMBL7572091

SCHEMBL7572091

O=S(=O)(Nc1cc(-c2ccsc2)ccc1NS(=O)(=O)c1ccc(Cl)s1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.54
HSPD1 P10809 2/20 0.53
PTPN2 P17706 2/20 0.53
PTPN1 P18031 2/20 0.53
PTPN5 P54829 2/20 0.53
HSPE1 P61604 2/20 0.53
ACLY P53396 3/20 0.47
KDM1A O60341 1/20 0.45
IDH2 P48735 4/20 0.45
IDH1 O75874 1/20 0.43
AKT1 P31749 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 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
SCHEMBL7567742 0.87 CCR2 (0.64) CCR2HSPD1PTPN2PTPN1PTPN5
SCHEMBL7574296 0.85 ALDH1A1 (0.46) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL7568102 0.84 PTPN2 (0.52) CCR2HSPD1PTPN2PTPN1PTPN5
SCHEMBL7567262 0.84 CCR2 (0.55) CCR2HSPD1PTPN2PTPN1PTPN5
SCHEMBL7567292 0.84 HSPD1 (0.51) CCR2HSPD1PTPN2PTPN1PTPN5
SCHEMBL7571744 0.83 HSPD1 (0.52) CCR2HSPD1PTPN2PTPN1PTPN5
SCHEMBL7568150 0.82 HSPD1 (0.51) CCR2HSPD1PTPN2PTPN1PTPN5
SCHEMBL7590087 0.81 GSK3B (0.44) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL7571988 0.80 ACLY (0.48) CCR2ACLYIDH2IDH1PTGES2
SCHEMBL7595317 0.77 ACLY (0.40) HSPD1PTPN2PTPN1PTPN5HSPE1

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