SCHEMBL8004928

SCHEMBL8004928

Cc1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1-c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.56
ALDH1A1 P00352 3/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MYOC Q99972 1/20 0.49
SRD5A2 P31213 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 2/20 0.47
ACHE P22303 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
CYP3A4 P08684 2/20 0.44

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
SCHEMBL29351814 0.92 ALDH1A1 (0.52) HSPB1ALDH1A1HTTMEN1KMT2A
SCHEMBL22530866 0.92 ALDH1A1 (0.52) HSPB1ALDH1A1HTTMEN1KMT2A
SCHEMBL31448122 0.88 ALDH1A1 (0.63) HSPB1ALDH1A1HTTMEN1KMT2A
SCHEMBL11414546 0.88 ALDH1A1 (0.63) HSPB1ALDH1A1HTTMEN1KMT2A
SCHEMBL29351884 0.83 HSPB1 (0.53) HSPB1ALDH1A1HTTMEN1KMT2A
SCHEMBL22529929 0.83 HSPB1 (0.53) HSPB1ALDH1A1HTTMEN1KMT2A
SCHEMBL11689190 0.81 HSPB1 (0.79) HSPB1ALDH1A1HTTMEN1KMT2A
SCHEMBL9183872 0.81 HSPB1 (0.79) HSPB1ALDH1A1HTTMEN1KMT2A
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.81 HSPB1 (0.79) HSPB1ALDH1A1HTTMEN1KMT2A
SCHEMBL2011179 0.81 HSPB1 (0.79) HSPB1ALDH1A1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6069278-A Aromatic diamines and polyimides based on 4,4'-bis-(4-aminophenoxy)-2,2' or 2,2',6,6'-substituted biphenyl THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2000-05-30 US disclosed
US-6037499-A 4,4'-BIS(4-AMINOPHENOXY),2,2',6,6'-SUBSTITUTED BIPHENYL RADICALS EXHIBITING NONCOPLANAR CONFORMATION FOR ENHANCED SOLUBILITY; POLYIMIDES MADE THEREFROM HAVE GOOD PROCESSABILITY AND HIGH GLASS TRANSITION TEMPERATURE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2000-03-14 US disclosed
US-5939521-A THERMOPLASTIC POLYIMIDES DERIVED FROM THE AROMATIC DIAMINES OF THIS INVENTION ARE CHARACTERIZED AS HAVING A HIGH GLASS TRANSITION TEMPERATURE, GOOD MECHANICAL PROPERTIES AND IMPROVED PROCESSABILITY IN THE MANUFACTURE OF ADHESIVES, THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1999-08-17 US disclosed