SCHEMBL11048680

SCHEMBL11048680

O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
GAA P10253 1/20 0.73
HTT P42858 1/20 0.73
CA2 P00918 2/20 0.59
CA5A P35218 1/20 0.59
LMNA P02545 5/20 0.59
ALDH1A1 P00352 4/20 0.59
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
PKM P14618 1/20 0.57
MAPK1 P28482 2/20 0.55
CA1 P00915 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
MEN1 O00255 1/20 0.50
VCAM1 P19320 1/20 0.49
F2 P00734 1/20 0.48

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
SCHEMBL11044740 0.87 VCAM1 (0.61) KMT2AGAAHTTCA2LMNA
SCHEMBL9580710 0.85 KMT2A (1.00) KMT2AGAAHTTCA2CA5A
SCHEMBL11593110 0.83 KMT2A (0.75) KMT2AGAAHTTCA2CA5A
SCHEMBL11049160 0.82 KMT2A (0.48) KMT2AGAAHTTCA2CA5A
SCHEMBL11045603 0.82 KMT2A (0.73) KMT2AGAAHTTCA2CA5A
SCHEMBL11044862 0.82 KMT2A (0.73) KMT2AGAAHTTCA2CA5A
SCHEMBL8761704 0.82 VCAM1 (0.76) KMT2AGAAHTTCA2CA5A
SCHEMBL28131806 0.82 KMT2A (0.73) KMT2AGAAHTTCA2CA5A
SCHEMBL3477247 0.80 KMT2A (0.89) KMT2AGAAHTTCA2CA5A
SCHEMBL10341547 0.80 KMT2A (0.89) KMT2AGAAHTTCA2CA5A

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-4482742-A CATALYTIC REDUCING AND DEHALOGENATION 3,3*-DINTITRODIPHENYLSULFONE MITSUI TOATSU CHEMICALS INC. (JP) 1984-11-13 US disclosed