SCHEMBL7573948

SCHEMBL7573948

CCOC(=O)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(NS(=O)(=O)/C=C/c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
RRM1 P23921 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
HIF1A Q16665 1/20 0.47
PTGES2 Q9H7Z7 4/20 0.47
PPARG P37231 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
ACLY P53396 1/20 0.44
MAPT P10636 2/20 0.44
MCL1 Q07820 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL7573951 1.00 NPSR1 (0.59) NPSR1RRM1KMT2AMEN1GAA
SCHEMBL7578595 0.88 NPSR1 (0.72) NPSR1KMT2AMEN1GAAHIF1A
SCHEMBL7572561 0.80 NPSR1 (0.66) NPSR1KMT2AMEN1GAAHIF1A
SCHEMBL7567314 0.79 NPSR1 (0.59) NPSR1KMT2AMEN1GAAACLY
SCHEMBL7572374 0.78 NPSR1 (0.58) NPSR1KMT2AMEN1GAAHIF1A
SCHEMBL7570517 0.76 CYP2C9 (0.61) NPSR1KMT2AMEN1GAAMAPT
SCHEMBL2828816 0.74 NPSR1 (0.59) NPSR1KMT2AMEN1GAAHIF1A
SCHEMBL17978539 0.72 NPSR1 (0.56) NPSR1KMT2AMEN1GAAHIF1A
SCHEMBL395600 0.71 HIF1A (0.61) NPSR1KMT2AMEN1GAAHIF1A
SCHEMBL2828302 0.71 SMN1; SMN2 (0.61) NPSR1KMT2AMEN1GAAHIF1A

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