SCHEMBL2011179

SCHEMBL2011179

O=[N+]([O-])c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.79
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
MAPT P10636 3/20 0.66
MAPK1 P28482 2/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
MYOC Q99972 1/20 0.66
ALDH1A1 P00352 4/20 0.63
SRD5A2 P31213 1/20 0.63
HTT P42858 1/20 0.58
KDM4E B2RXH2 1/20 0.58
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 1/20 0.57
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56

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
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 1.00 HSPB1 (0.79) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL9183872 1.00 HSPB1 (0.79) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL11689190 1.00 HSPB1 (0.79) HSPB1KMT2AMEN1MAPTMAPK1
4,4'-Oxybis(Nitrobenzene) SCHEMBL8934595 0.97 HSPB1 (0.76) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL28051442 0.93 HSPB1 (0.70) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL311582 0.93 KMT2A (0.73) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL3208134 0.93 HSPB1 (0.70) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL11191189 0.91 HSPB1 (0.68) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL457863 0.91 HSPB1 (0.68) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL23385506 0.89 HSPB1 (0.66) HSPB1KMT2AMEN1MAPTMAPK1

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-7964698-B2 Wholly aromatic liquid crystalline polyetherimide (LC-PEI) resins UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2011-06-21 US disclosed
WO-2009061763-A1 WHOLLY AROMATIC LIQUID CRYSTALLINE POLYETHERIMIDE (LC-PEI) RESINS UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2009-05-14 WO disclosed
US-20090118461-A1 Wholly Aromatic Liquid Crystalline Polyetherimide (LC-PEI) Resins USA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2009-05-07 US disclosed