SCHEMBL7596550

SCHEMBL7596550

Cc1cc(NS(=O)(=O)Cc2ccccc2)c(NS(=O)(=O)Cc2ccccc2)cc1Cl.O=S(=O)(Cc1ccccc1)Nc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
HPGD P15428 3/20 0.50
PGR P06401 1/20 0.49
AR P10275 1/20 0.48
ALDH1A1 P00352 6/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
ADRB2 P07550 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.46
PTK2B Q14289 1/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.44

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
SCHEMBL7589006 0.94 ALDH1A1 (0.50) KMT2AHPGDALDH1A1MAPK1PTK2B
SCHEMBL633995 0.79 KMT2A (0.76) KMT2AHPGDPGRARALDH1A1
SCHEMBL4350011 0.75 ALDH1A1 (0.47) KMT2AHPGDALDH1A1ALOX15HSD17B10
SCHEMBL14403271 0.75 ALDH1A1 (0.55) KMT2AHPGDPGRALDH1A1MAPK1
SCHEMBL9186300 0.75 KMT2A (0.70) KMT2AHPGDPGRARALDH1A1
SCHEMBL11372811 0.73 KMT2A (0.72) KMT2AHPGDPGRARALDH1A1
SCHEMBL9479374 0.73 KMT2A (0.72) KMT2AHPGDPGRARALDH1A1
SCHEMBL4345454 0.73 KMT2A (0.54) KMT2AHPGDPGRARALDH1A1
SCHEMBL7588981 0.72 ALDH1A1 (0.64) KMT2AHPGDALDH1A1ALOX15HSD17B10
SCHEMBL11742060 0.71 ALDH1A1 (0.52) KMT2AHPGDPGRARALDH1A1

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