SCHEMBL6536285

SCHEMBL6536285

O=Cc1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
POLB P06746 1/20 0.58
ERN1 O75460 1/20 0.56
HSD17B10 Q99714 1/20 0.55
AMY1A P0DUB6 1/20 0.44
PTPRC P08575 1/20 0.44
S100A4 P26447 1/20 0.44
NPBWR1 P48145 1/20 0.44
HTT P42858 1/20 0.43
VCAM1 P19320 1/20 0.42
PTPN1 P18031 1/20 0.42
PDE7A Q13946 1/20 0.42
APEX1 P27695 1/20 0.41

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
SCHEMBL12798324 0.89 ERN1 (0.67) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL31098731 0.89 ERN1 (0.67) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL10405791 0.86 HSD17B10 (0.72) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL307134 0.84 ERN1 (0.65) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL1195413 0.82 HSD17B10 (0.62) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL5511292 0.81 ERN1 (0.53) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL14429947 0.80 ERN1 (0.56) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL7930381 0.77 ERN1 (0.56) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL2652355 0.76 ERN1 (0.69) ALDH1A1KMT2AMAPTERN1HSD17B10
Dimethylformamide SCHEMBL27570110 0.75 ERN1 (0.54) ALDH1A1KMT2AMAPTMEN1POLB

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