SCHEMBL5228023

SCHEMBL5228023

O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.49
CA1 P00915 2/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
FFAR4 Q5NUL3 2/20 0.44
POLB P06746 2/20 0.44
FKBP1A P62942 1/20 0.44
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL5237280 0.90 CES1 (0.49) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL5231082 0.88 ALDH1A1 (0.43) CA2CA1MEN1KMT2ATDP1
SCHEMBL5234203 0.88 ALDH1A1 (0.42) CA2CA1MEN1KMT2ATDP1
SCHEMBL5227591 0.88 CDK1 (0.52) MEN1KMT2ATDP1ALDH1A1POLB
SCHEMBL5228196 0.88 CA12 (0.49) CA2CA12CA9MEN1KMT2A
SCHEMBL5227161 0.85 MEN1 (0.48) MEN1KMT2ATDP1ALDH1A1HPGD
SCHEMBL5227928 0.85 MEN1 (0.50) CA2CA1MEN1KMT2ATDP1
SCHEMBL5233848 0.83 ACLY (0.39) CA2CA1MEN1KMT2AALDH1A1
SCHEMBL8342602 0.82 DNMT1 (0.44) CA2CA1CA12CA9MEN1
SCHEMBL5232126 0.81 EPAS1 (0.40) CA2CA1MEN1KMT2ATDP1

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