SCHEMBL7898997

SCHEMBL7898997

O=[N+]([O-])c1cc(S(=O)(=O)O)c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.42
GAA P10253 1/20 0.42
PLCG1 P19174 1/20 0.42
DNMT1 P26358 1/20 0.42
CASP6 P55212 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR35 Q9HC97 4/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 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
SCHEMBL29083021 0.85 NSD2 (0.44) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL28042421 0.84 L3MBTL1 (0.46) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL1717789 0.84 ALDH1A1 (0.44) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL124315 0.84 ALDH1A1 (0.46) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL7441311 0.81 GPR35 (0.47) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL27464031 0.81 GPR35 (0.44) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL195393 0.81 GPR35 (0.44) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL26980 0.81 GPR35 (0.44) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL1717787 0.79 ALDH1A1 (0.48) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL19945968 0.79 GPR35 (0.43) NSD2GAAPLCG1DNMT1CASP6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265220-B1 NON-IMMUNOCHEMICAL METHOD BY REACTING A COMPOUND COMPRISING CIS-1,4-DIOXO-2-BUTENE MOIETY OR HYDROLYTICALLY DERIVED PRECURSOR WITH HOMOCYSTEINE, THEN DETECTING PRODUCT WITHOUT SEPARATION FROM LIQUID ULLMAN EDWIN F (US) 2001-07-24 US disclosed
WO-2000000821-A1 ASSAY FOR HOMOCYSTEINE ULLMAN EDWIN F (US) 2000-01-06 WO disclosed