SCHEMBL7580127

SCHEMBL7580127

COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
MAPK1 P28482 1/20 0.67
ALDH1A1 P00352 3/20 0.62
PTGES2 Q9H7Z7 1/20 0.60
NPC1 O15118 1/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ACLY P53396 1/20 0.58
POLB P06746 1/20 0.58
PKM P14618 1/20 0.57
ALOX12 P18054 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL2518669 0.91 KMT2A (0.63) KMT2AMEN1MAPK1ALDH1A1PTGES2
SCHEMBL13577033 0.88 KMT2A (0.64) KMT2AMEN1MAPK1ALDH1A1NPC1
SCHEMBL3611184 0.84 ALDH1A1 (0.80) KMT2AMEN1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL4192352 0.84 NPC1 (0.58) KMT2AMEN1MAPK1ALDH1A1PTGES2
SCHEMBL7586724 0.84 NPC1 (0.68) KMT2AMEN1MAPK1ALDH1A1NPC1
SCHEMBL13146531 0.83 PGR (0.67) KMT2AMEN1MAPK1PTGES2ACLY
SCHEMBL2514752 0.82 KMT2A (0.57) KMT2AMEN1MAPK1ALDH1A1PTGES2
SCHEMBL16235476 0.81 CCR2 (0.63) KMT2AMEN1MAPK1ALDH1A1
SCHEMBL1035847 0.81 MEN1 (1.00) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28450939 0.80 MEN1 (0.68) KMT2AMEN1MAPK1ALDH1A1SMN1; SMN2

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