SCHEMBL6536346

SCHEMBL6536346

O=C(O)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.56
MAX P61244 1/20 0.56
ALDH1A1 P00352 5/20 0.56
TDP1 Q9NUW8 3/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPT P10636 2/20 0.55
EIF4E P06730 1/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 1/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
HSP90AA1 P07900 1/20 0.50
POLB P06746 2/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL6425009 0.92 EIF4E (0.56) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL6641665 0.92 MYC (0.66) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL3824233 0.91 EIF4E (0.53) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL6798367 0.91 ALDH1A1 (0.54) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL3824237 0.91 EIF4E (0.53) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL6342762 0.89 ALDH1A1 (0.62) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL679262 0.89 ALDH1A1 (0.62) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL9474889 0.86 ALDH1A1 (0.60) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL6536287 0.85 ALDH1A1 (0.53) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL2547080 0.83 MYC (0.56) MYCMAXALDH1A1TDP1CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138408-A1 Polymide lcd alignment layer UNIVERSITY OF AKRON, THE 2004-07-15 US disclosed
EP-1366107-A4 POLYIMIDE LCD ALIGNMENT LAYERS UNIV AKRON (US) 2004-05-12 EP disclosed
EP-1366107-A2 POLYIMIDE LCD ALIGNMENT LAYERS The University of Akron (US) 2003-12-03 EP disclosed
WO-2002054141-A2 DISCOTIC LIQUID CRYSTAL MATERIALS AND O-PLATE COMPENSATION FILMS MADE THEREFROM THE UNIVERSITY OF AKRON (US) 2002-07-11 WO disclosed
WO-2002054140-A2 POLYIMIDE LCD ALIGNMENT LAYERS THE UNIVERSITY OF AKRON (US) 2002-07-11 WO disclosed