SCHEMBL6536287

SCHEMBL6536287

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 2/20 0.45
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
EIF4E P06730 1/20 0.44
PTPRC P08575 1/20 0.44
S100A4 P26447 1/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 1/20 0.44
CES1 P23141 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL7083803 0.90 POLB (0.56) ALDH1A1TSHRKMT2AMYCMAX
SCHEMBL6536346 0.85 MYC (0.56) ALDH1A1KMT2AMYCMAXEIF4E
SCHEMBL6795849 0.83 ALDH1A1 (0.53) ALDH1A1TSHRCASP1KMT2AMYC
SCHEMBL10694655 0.80 ALDH1A1 (0.57) ALDH1A1TSHRKMT2APOLBCES1
SCHEMBL3824233 0.80 EIF4E (0.53) ALDH1A1KMT2AMYCMAXEIF4E
SCHEMBL30954039 0.80 KMT2A (0.49) ALDH1A1TSHRKMT2APTPRCS100A4
SCHEMBL3824237 0.80 EIF4E (0.53) ALDH1A1KMT2AMYCMAXEIF4E
SCHEMBL4954263 0.77 L3MBTL1 (0.63) ALDH1A1TSHRKMT2ARAB9AMAPT
SCHEMBL2243892 0.77 GPR35 (0.56) ALDH1A1TSHRKMT2APOLBMAPT
SCHEMBL398463 0.77 HSD17B10 (0.60) ALDH1A1TSHRKMT2AMAPTMAPK1

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