SCHEMBL8568773

SCHEMBL8568773

Nc1nccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
HTT P42858 4/20 0.46
KDM4E B2RXH2 1/20 0.46
MITF O75030 1/20 0.46
NOD2 Q9HC29 1/20 0.42
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
GPR35 Q9HC97 1/20 0.41
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 4/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL3688848 0.82 MAPT (0.47) MAPTHTTKDM4EMITFNOD2
SCHEMBL9674605 0.82 NOS3 (0.43) MAPTKDM4ETSHRKMT2ATDP1
SCHEMBL18474448 0.78 MAPT (0.45) MAPTHTTKDM4EMITFNOD2
SCHEMBL783847 0.78 HTT (0.45) MAPTHTTKDM4EMITFNOD2
SCHEMBL29658100 0.78 HTT (0.45) MAPTHTTKDM4EMITFNOD2
SCHEMBL11708343 0.78 MAPT (0.47) MAPTHTTKDM4EMITFNOD2
SCHEMBL8565505 0.78 MAPT (0.45) MAPTHTTKDM4EMITFNOD2
SCHEMBL11713155 0.78 MAPT (0.45) MAPTHTTKDM4EMITFNOD2
SCHEMBL16919107 0.78 MAPT (0.45) MAPTHTTKDM4EMITFNOD2
SCHEMBL29674727 0.78 NOS2 (0.50) MAPTHTTKDM4EMITFLMNA

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
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed