SCHEMBL11524284

SCHEMBL11524284

COc1ccc(S(=O)(=O)C(=Cc2cccc([N+](=O)[O-])c2)C(C)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.58
▸ GLO1 Q04760 2/20 0.57
▸ TXNRD1 Q16881 1/20 0.52
▸ TXNRD3 Q86VQ6 1/20 0.52
▸ TXNRD2 Q9NNW7 1/20 0.52
▸ MAPT P10636 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.47
▸ NPC1 O15118 1/20 0.47

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
SCHEMBL11564904 0.88 GLO1 (0.63) NFE2L2GLO1MAPTALDH1A1CA1
SCHEMBL10989985 0.87 GLO1 (0.61) NFE2L2GLO1MAPTALDH1A1CA1
SCHEMBL10983993 0.78 GLO1 (0.66) NFE2L2GLO1MAPTALDH1A1CA1
SCHEMBL14306012 0.75 MAPT (0.76) NFE2L2TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL4184895 0.75 MAOA (0.55) NFE2L2MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL10896764 0.75 GLO1 (0.61) NFE2L2GLO1MAPTALDH1A1CA1
SCHEMBL10896757 0.75 GLO1 (0.61) NFE2L2GLO1MAPTALDH1A1CA1
SCHEMBL4184889 0.75 MAOA (0.55) NFE2L2MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL4184894 0.75 MAOA (0.55) NFE2L2MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL1194705 0.74 NFE2L2 (0.65) NFE2L2TXNRD1TXNRD3TXNRD2MAPT

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-4179500-A 1,4-Dihydropyridine-sugar derivatives, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1979-12-18 — — US disclosed
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