SCHEMBL5230626

SCHEMBL5230626

CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 6/20 0.42
PGR P06401 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KIF18A Q8NI77 1/20 0.37
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5231215 0.90 VCAM1 (0.40) VCAM1MEN1KMT2AALDH1A1MAPT
SCHEMBL5228751 0.87 NR1H3 (0.45) VCAM1KMT2AALDH1A1HPGDALOX15
SCHEMBL5235312 0.81 RORC (0.50) VCAM1MEN1KMT2AALDH1A1MAPT
SCHEMBL5230003 0.77 PGR (0.51) PGRMEN1KMT2AALDH1A1MAPT
SCHEMBL1939772 0.75 VCAM1 (0.44) VCAM1KDM4EMEN1KMT2AALDH1A1
SCHEMBL1938669 0.74 VCAM1 (0.46) VCAM1KDM4EMEN1KMT2AALDH1A1
SCHEMBL5478547 0.73 LMNA (0.54) VCAM1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL5237280 0.73 CES1 (0.49) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL5225890 0.73 VCAM1 (0.49) VCAM1KDM4EMEN1KMT2AALDH1A1
SCHEMBL5229337 0.72 CYP19A1 (0.44) PGRMEN1KMT2AALDH1A1MAPT

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 1 patent. 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