SCHEMBL11097176

SCHEMBL11097176

O=[N+]([O-])c1cccc(C=CC(O)c2ccc(Cl)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 3/20 0.54
▸ FBP1 P09467 2/20 0.52
▸ VCP P55072 1/20 0.52
▸ CYP19A1 P11511 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TRPV1 Q8NER1 1/20 0.50
▸ RAB9A P51151 2/20 0.49
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ GLO1 Q04760 1/20 0.45

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
SCHEMBL1194151 0.83 NFE2L2 (0.50) NFE2L2FBP1VCPCYP19A1MEN1
SCHEMBL10706667 0.82 NFE2L2 (0.51) NFE2L2FBP1VCPCYP19A1MEN1
SCHEMBL10706671 0.82 NFE2L2 (0.51) NFE2L2FBP1VCPCYP19A1MEN1
SCHEMBL10706659 0.82 NFE2L2 (0.51) NFE2L2FBP1VCPCYP19A1MEN1
SCHEMBL10375223 0.76 MAOB (0.78) MEN1KMT2ATRPV1RAB9AMAPT
SCHEMBL9879552 0.76 MAOB (0.78) MEN1KMT2ATRPV1RAB9AMAPT
SCHEMBL15498134 0.75 NFE2L2 (0.89) NFE2L2FBP1VCPCYP19A1MEN1
SCHEMBL13875030 0.75 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MEN1
SCHEMBL6798937 0.75 NFE2L2 (0.70) NFE2L2FBP1VCPCYP19A1MEN1
SCHEMBL6798940 0.75 NFE2L2 (0.70) NFE2L2FBP1VCPCYP19A1MEN1

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-0110442-A2 Urea compounds, intermediates and process for their preparation, herbicidal and/or fungicidal compositions, and method of combating undesired plant growth SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-06-13 — — EP disclosed
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