SCHEMBL11564320

SCHEMBL11564320

CS(=O)(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)C=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 2/20 0.58
▸ FBP1 P09467 2/20 0.56
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ NFE2L2 Q16236 3/20 0.47
▸ LMNA P02545 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ VCP P55072 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ MAOB P27338 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 2/20 0.43

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
SCHEMBL10985885 0.80 LMNA (0.55) GLO1FBP1NFE2L2LMNAKMT2A
SCHEMBL10507269 0.77 GLO1 (0.68) GLO1FBP1NFE2L2LMNAKMT2A
SCHEMBL10511400 0.77 GLO1 (0.68) GLO1FBP1NFE2L2LMNAKMT2A
SCHEMBL10983993 0.76 GLO1 (0.66) GLO1FBP1CA1CA2CA4
SCHEMBL8540762 0.76 CYP1A2 (0.58) GLO1FBP1CA1CA2CA4
SCHEMBL8540758 0.76 CYP1A2 (0.58) GLO1FBP1CA1CA2CA4
SCHEMBL6771050 0.75 GLO1 (0.73) GLO1FBP1NFE2L2LMNAKMT2A
SCHEMBL11664581 0.74 FBP1 (0.69) GLO1FBP1NFE2L2LMNAKMT2A
SCHEMBL8028846 0.74 GLO1 (1.00) GLO1FBP1CA1CA2CA4
SCHEMBL9656164 0.74 FBP1 (0.69) GLO1FBP1NFE2L2LMNAKMT2A

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
EP-0001769-A1 Sulfur-containing esters of 1,4-dihydropyridine carboxylic acids, their preparation and pharmaceutical use BAYER AG (DE) 1979-05-16 — — EP disclosed
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