SCHEMBL5230241

SCHEMBL5230241

Cc1c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)sc2ccc(Cl)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
CMA1 P23946 4/20 0.60
PFKFB3 Q16875 7/20 0.59
PFKFB4 Q16877 6/20 0.59
HTR6 P50406 7/20 0.53
HTR1A P08908 3/20 0.52
DRD2 P14416 3/20 0.52
HTR1D P28221 3/20 0.52
HTR1B P28222 3/20 0.52
HTR2C P28335 3/20 0.52
HTR7 P34969 3/20 0.52
ADRA1B P35368 3/20 0.52
DRD3 P35462 3/20 0.52
HTR4 Q13639 3/20 0.52
HTR2A P28223 2/20 0.52
HTR2B P41595 2/20 0.52
HTR1E P28566 1/20 0.52
HTR1F P30939 1/20 0.52
DRD1 P21728 1/20 0.52

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
SCHEMBL8250288 0.86 NPSR1 (0.74) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL12204617 0.83 NPSR1 (0.90) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL5621183 0.77 CMA1 (0.83) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL4463658 0.77 CMA1 (0.83) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL8259082 0.76 NPSR1 (0.76) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL8255568 0.76 CMA1 (0.80) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL5621758 0.76 PFKFB3 (0.80) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL6981823 0.76 HTR6 (0.80) NPSR1L3MBTL1CMA1PFKFB3HTR6
SCHEMBL2912913 0.75 CMA1 (1.00) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL8255613 0.75 CMA1 (1.00) NPSR1L3MBTL1CMA1PFKFB3PFKFB4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 EP claimed
EP-1519932-A1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY Cyclacel Limited (GB) 2005-04-06 EP claimed
WO-2004005278-A1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LIMITED (GB) 2004-01-15 WO claimed