SCHEMBL7588697

SCHEMBL7588697

O=S(=O)(Nc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.74
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
LMNA P02545 1/20 0.68
MAPT P10636 1/20 0.68
HTT P42858 1/20 0.68
SLC40A1 Q9NP59 2/20 0.62
ACLY P53396 1/20 0.58
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
UQCRB P14927 1/20 0.55
HSD17B2 P37059 1/20 0.55
HSD11B1 P28845 1/20 0.55
GAA P10253 1/20 0.55
KDM1A O60341 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54

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
SCHEMBL7572596 0.89 MEN1 (0.67) PTGES2KMT2AMEN1LMNAMAPT
SCHEMBL14403258 0.89 PTGES2 (0.65) PTGES2KMT2AMEN1LMNAMAPT
SCHEMBL29540970 0.88 KEAP1 (0.68) PTGES2KMT2AMEN1LMNAMAPT
SCHEMBL22233891 0.88 KEAP1 (0.68) PTGES2KMT2AMEN1LMNAMAPT
SCHEMBL7598878 0.86 PTGES2 (0.62) PTGES2KMT2AMEN1LMNAMAPT
SCHEMBL5880108 0.86 CYP2C9 (0.67) PTGES2KMT2AMEN1LMNAMAPT
SCHEMBL3777574 0.86 PTGES2 (1.00) PTGES2KMT2AMEN1LMNAMAPT
SCHEMBL7597563 0.86 RECQL (0.69) PTGES2KMT2AMEN1LMNAMAPT
SCHEMBL7570431 0.85 POLB (0.61) PTGES2KMT2AMEN1LMNAMAPT
SCHEMBL5879757 0.85 PTGES2 (0.60) PTGES2KMT2AMEN1LMNAMAPT

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