SCHEMBL8549210

SCHEMBL8549210

O=[N+]([O-])c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.64
PKM P14618 2/20 0.61
LMNA P02545 3/20 0.57
MAPT P10636 1/20 0.57
ESR1 P03372 1/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.50
NR1I2 O75469 1/20 0.50
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 1/20 0.49
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
PGR P06401 1/20 0.48
RORC P51449 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL7335037 0.91 NR3C1 (0.58) NR3C1PKMLMNAMAPTESR1
SCHEMBL7336428 0.91 NR3C1 (0.58) NR3C1PKMLMNAMAPTESR1
SCHEMBL7331497 0.91 NR3C1 (0.58) NR3C1PKMLMNAMAPTESR1
SCHEMBL6553024 0.89 PKM (0.75) NR3C1PKMLMNAMAPTESR1
SCHEMBL7335926 0.89 NR3C1 (0.64) NR3C1PKMLMNAMAPTESR1
SCHEMBL8543953 0.81 NR3C1 (0.58) NR3C1PKMLMNAMAPTESR1
SCHEMBL7326995 0.81 NR3C1 (0.58) NR3C1PKMLMNAMAPTESR1
SCHEMBL5330652 0.78 ESR1 (0.78) NR3C1PKMLMNAESR1MEN1
SCHEMBL7326548 0.78 NR3C1 (0.60) NR3C1PKMLMNAMAPTESR1
SCHEMBL9703044 0.77 LMNA (0.60) NR3C1PKMLMNAMAPTESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed