SCHEMBL15364461

SCHEMBL15364461

O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
MAOB P27338 1/20 0.62
LMNA P02545 3/20 0.60
ALDH1A1 P00352 3/20 0.60
TRPV1 Q8NER1 1/20 0.59
TXNRD1 Q16881 1/20 0.58
TXNRD3 Q86VQ6 1/20 0.58
TXNRD2 Q9NNW7 1/20 0.58
NFE2L2 Q16236 2/20 0.58
HSP90AA1 P07900 4/20 0.57
CCR6 P51684 1/20 0.57
MITF O75030 1/20 0.56
HTT P42858 1/20 0.56
ATM Q13315 1/20 0.56
FBP1 P09467 1/20 0.56
VCP P55072 1/20 0.56
CYP19A1 P11511 1/20 0.56
ITGB2 P05107 1/20 0.54
ICAM1 P05362 1/20 0.54
ITGAL P20701 1/20 0.54

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
SCHEMBL6907569 1.00 MAPT (0.62) MAPTMAOBLMNAALDH1A1TRPV1
SCHEMBL15367500 0.97 MAPT (0.60) MAPTMAOBLMNAALDH1A1TRPV1
SCHEMBL15363575 0.85 CYP19A1 (0.53) MAPTMAOBLMNAALDH1A1TXNRD1
SCHEMBL1284478 0.85 TRPV1 (0.62) MAPTMAOBLMNAALDH1A1TRPV1
SCHEMBL1284480 0.85 TRPV1 (0.62) MAPTMAOBLMNAALDH1A1TRPV1
SCHEMBL30913843 0.85 TRPV1 (0.62) MAPTMAOBLMNAALDH1A1TRPV1
SCHEMBL30109482 0.84 HSP90AA1 (0.59) MAPTLMNAALDH1A1TRPV1TXNRD1
SCHEMBL9522391 0.83 HSP90AA1 (0.53) MAPTMAOBLMNAALDH1A1TRPV1
SCHEMBL9522387 0.83 HSP90AA1 (0.53) MAPTMAOBLMNAALDH1A1TRPV1
SCHEMBL10891855 0.83 MAPT (0.59) MAPTMAOBLMNAALDH1A1TXNRD1

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
WO-2013161984-A1 DIAMINE, POLYMER, LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2013-10-31 WO disclosed