SCHEMBL28033541

SCHEMBL28033541

O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)cc2)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.71
MAPT P10636 6/20 0.64
NPSR1 Q6W5P4 1/20 0.64
GAA P10253 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
LMNA P02545 5/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 1/20 0.54
AGTR1 P30556 1/20 0.52
RAB9A P51151 3/20 0.52
KMT2A Q03164 5/20 0.51
HSP90AA1 P07900 1/20 0.51
CXCR5 P32302 1/20 0.51
APLNR P35414 1/20 0.51
CCR6 P51684 1/20 0.51
GFER P55789 1/20 0.51
MEN1 O00255 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
MAPK1 P28482 2/20 0.51

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
SCHEMBL20932230 0.89 HSPB1 (0.82) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL19435012 0.88 HSPB1 (0.68) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL29504580 0.88 HSPB1 (0.68) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL11198841 0.84 HSPB1 (0.75) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL177664 0.83 HSPB1 (0.73) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL10468493 0.83 HSPB1 (0.73) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL4716681 0.83 HSPB1 (0.73) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL9449124 0.83 HSPB1 (1.00) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL11274403 0.83 HSPB1 (0.73) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL6331907 0.83 HSPB1 (0.73) HSPB1MAPTNPSR1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105061302-A Pyridine-ring-containing diamine, polyimide prepared from pyridine-ring-containing diamine and preparation method of polyimide UNIV HARBIN ENG 2015-11-18 CN claimed
CN-105061302-A Pyridine-ring-containing diamine, polyimide prepared from pyridine-ring-containing diamine and preparation method of polyimide UNIV HARBIN ENG 2015-11-18 CN disclosed