SCHEMBL28042420

SCHEMBL28042420

Nc1cc(S(=O)(=O)O)c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ NSD2 O96028 1/20 0.45
▸ PLCG1 P19174 1/20 0.45
▸ DNMT1 P26358 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NT5E P21589 2/20 0.41
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.37
▸ NPY1R P25929 6/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 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
SCHEMBL5505749 0.81 NT5E (0.44) CASP6GAANSD2PLCG1DNMT1
SCHEMBL7898997 0.79 NSD2 (0.42) CASP6GAANSD2PLCG1DNMT1
SCHEMBL28545556 0.78 ALDH1A1 (0.39) CASP6GAANSD2PLCG1DNMT1
SCHEMBL1717787 0.78 ALDH1A1 (0.48) CASP6GAANSD2PLCG1DNMT1
SCHEMBL28111354 0.75 NSD2 (0.43) CASP6GAANSD2PLCG1DNMT1
SCHEMBL10351830 0.74 NSD2 (0.53) CASP6GAANSD2PLCG1DNMT1
SCHEMBL2684700 0.73 TTR (0.53) CASP6GAANSD2PLCG1DNMT1
SCHEMBL28334959 0.72 GAA (0.47) CASP6GAANSD2PLCG1DNMT1
SCHEMBL3029818 0.71 TTR (0.51) CASP6GAANSD2PLCG1DNMT1
SCHEMBL8421128 0.71 ALDH1A1 (0.57) CASP6GAANSD2PLCG1DNMT1

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
CN-105143260-A Antibodies specific for a novel epitope on CEMX of human membrane bound IgE and their use for treating IgE-mediated diseases ACADEMIA SINICA 2015-12-09 — — CN disclosed
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