SCHEMBL7571135

SCHEMBL7571135

O=S(=O)(Nc1ccc(-c2cc3ccccc3o2)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 4/20 0.48
PTPN2 P17706 3/20 0.47
PTPN1 P18031 3/20 0.47
PTPN5 P54829 3/20 0.47
HSPD1 P10809 2/20 0.47
HSPE1 P61604 2/20 0.47
TOP2A P11388 1/20 0.45
ACLY P53396 1/20 0.45
GSK3B P49841 1/20 0.45
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
AR P10275 1/20 0.44
ESR2 Q92731 1/20 0.44
SLC40A1 Q9NP59 3/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
CKS1B P61024 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
SCHEMBL7566650 0.85 ACLY (0.57) PTGES2ACLYGSK3BNR3C1PGR
SCHEMBL7573002 0.83 ACLY (0.59) PTGES2ACLYGSK3BNR3C1PGR
SCHEMBL7569556 0.82 PTGES2 (0.46) PTGES2PTPN2PTPN1PTPN5HSPD1
SCHEMBL7564347 0.81 ACLY (0.53) PTGES2ACLYGSK3BNR3C1PGR
SCHEMBL7566442 0.81 ACLY (0.48) PTGES2ACLYGSK3BNR3C1PGR
SCHEMBL7567344 0.81 ACLY (0.48) PTGES2ACLYGSK3BNR3C1PGR
SCHEMBL7568243 0.81 ACLY (0.48) PTGES2ACLYGSK3BNR3C1PGR
SCHEMBL7573023 0.80 CCR2 (0.48) PTGES2ACLYGSK3BNR3C1PGR
SCHEMBL7571988 0.78 ACLY (0.48) PTGES2ACLYGSK3BNR3C1PGR
SCHEMBL7567847 0.78 ACLY (0.46) PTGES2ACLYGSK3BNR3C1PGR

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