SCHEMBL8747145

SCHEMBL8747145

O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)O)c1.O=[N+]([O-])c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CA2 P00918 2/20 0.51
CA5A P35218 1/20 0.51
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
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 1/20 0.49
F2 P00734 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 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
SCHEMBL8747028 1.00 KMT2A (0.58) KMT2AGAAHTTALDH1A1MEN1
SCHEMBL2483874 0.90 ALDH1A1 (0.57) KMT2AGAAHTTALDH1A1MEN1
SCHEMBL390493 0.88 ALDH1A1 (0.59) KMT2AHTTALDH1A1MEN1SMN1; SMN2
SCHEMBL9838827 0.88 ALDH1A1 (0.59) KMT2AHTTALDH1A1MEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL9735262 0.87 ALDH1A1 (0.57) KMT2AHTTALDH1A1MEN1SMN1; SMN2
SCHEMBL27782371 0.87 ALDH1A1 (0.57) KMT2AHTTALDH1A1MEN1SMN1; SMN2
SCHEMBL5075926 0.87 ALDH1A1 (0.57) KMT2AHTTALDH1A1MEN1SMN1; SMN2
SCHEMBL2483869 0.87 ALDH1A1 (0.57) KMT2AHTTALDH1A1MEN1SMN1; SMN2
SCHEMBL2483873 0.87 ALDH1A1 (0.57) KMT2AHTTALDH1A1MEN1SMN1; SMN2
Water SCHEMBL8747163 0.87 ALDH1A1 (0.57) KMT2AHTTALDH1A1MEN1SMN1; SMN2

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-0619302-A1 Process for the preparation of crystallized, salt-free, chlorosubstituted 3-nitrobenzene sulfonic acid hydrates HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-12 EP claimed
EP-0619302-B1 Process for the preparation of crystallized, salt-free, chlorosubstituted 3-nitrobenzene sulfonic acid hydrates HOECHST AG (DE) 1997-03-12 EP disclosed
EP-0619302-A1 Process for the preparation of crystallized, salt-free, chlorosubstituted 3-nitrobenzene sulfonic acid hydrates HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-12 EP disclosed