SCHEMBL7595111

SCHEMBL7595111

O=S(=O)(Nc1cc(F)ccc1NS(=O)(=O)c1ccc(CNc2ccccc2)s1)c1cccc(C(F)(F)F)c1.O=S(=O)(Nc1ccccc1NS(=O)(=O)c1ccc(CNc2ccccc2)s1)c1ccc(CNc2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CCR2 P41597 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.43
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
AR P10275 1/20 0.42
ESR2 Q92731 1/20 0.42
ACLY P53396 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CLK1 P49759 1/20 0.41
CKS1B P61024 1/20 0.41
SKP2 Q13309 1/20 0.41
HSPD1 P10809 2/20 0.40
PTPN2 P17706 2/20 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
SCHEMBL7591796 0.99 CCR2 (0.46) GAAMEN1KMT2ACCR2PTGES2
SCHEMBL7572951 0.79 KMT2A (0.54) GAAMEN1KMT2ACCR2ACLY
SCHEMBL7573141 0.76 LMNA (0.49) GAAMEN1KMT2ACCR2LMNA
SCHEMBL7592771 0.73 MEN1 (0.74) GAAMEN1KMT2ACCR2PTGES2
SCHEMBL7569677 0.73 MEN1 (0.52) GAAMEN1KMT2ACCR2PTGES2
SCHEMBL7572541 0.72 FFAR1 (0.62) GAAMEN1KMT2ACCR2LMNA
SCHEMBL7572737 0.72 MCL1 (0.60) GAAMEN1KMT2ACCR2PTGES2
SCHEMBL3762909 0.70 PGR (0.77) GAAMEN1KMT2ANR3C1PGR
SCHEMBL7577554 0.69 MEN1 (0.55) GAAMEN1KMT2ACCR2PTGES2
SCHEMBL7572596 0.69 MEN1 (0.67) GAAMEN1KMT2ACCR2PTGES2

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