SCHEMBL7998835

SCHEMBL7998835

N#CC(C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)=C1NS(=O)(=O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FLT1 P17948 2/20 0.38
FLT4 P35916 2/20 0.38
KDR P35968 2/20 0.38
CA2 P00918 6/20 0.38
CA1 P00915 4/20 0.38
MMP2 P08253 3/20 0.38
MMP1 P03956 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
CA12 O43570 6/20 0.38
CA9 Q16790 6/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL2744207 0.88 HSD11B1 (0.43) GAACA2CA1CA12CA9
SCHEMBL8014575 0.87 HSD11B1 (0.38) GAACA2CA1CA12CA9
SCHEMBL8011292 0.86 KMT2A (0.41) GAASMN1; SMN2CA2CA1MMP2
SCHEMBL7998459 0.86 CA1 (0.38) CA2CA1CA12CA9KMT2A
SCHEMBL8008055 0.86 FLT1 (0.41) FLT1FLT4KDRKMT2AMAPT
SCHEMBL8007957 0.86 ALDH1A1 (0.41) CA2CA1CA12CA9KMT2A
SCHEMBL8010715 0.84 CA12 (0.40) FLT1FLT4KDRCA2CA1
SCHEMBL7998786 0.84 HSD11B1 (0.36) CA2CA1CA12CA9KMT2A
SCHEMBL8009035 0.84 HSD11B1 (0.36) GAACA2CA1CA12CA9
SCHEMBL8010691 0.83 HSD11B1 (0.37) GAASMN1; SMN2FLT1FLT4KDR

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
US-6165668-A N-[2-(1,2-benzisothiazol-3(2H)-ylidene 1,1-dioxide)-2-cyanoacetyl]benzenesulfonamide charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY (US) 2000-12-26 US disclosed