SCHEMBL8561101

SCHEMBL8561101

O=[N+]([O-])c1cnc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
S100A4 P26447 1/20 0.46
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GPR3 P46089 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL8568380 0.81 MEN1 (0.45) POLBMEN1KMT2AS100A4ALDH1A1
SCHEMBL29381779 0.81 POLB (0.51) POLBMEN1KMT2ANCOA1NCOA3
SCHEMBL1033969 0.81 POLB (0.51) POLBMEN1KMT2AS100A4NCOA1
SCHEMBL4727431 0.81 POLB (0.51) POLBMEN1KMT2ANCOA1NCOA3
SCHEMBL202880 0.81 POLB (0.51) POLBMEN1KMT2ANCOA1NCOA3
SCHEMBL31581131 0.81 MEN1 (0.45) POLBMEN1KMT2AS100A4ALDH1A1
SCHEMBL15824026 0.81 POLB (0.51) POLBMEN1KMT2ANCOA1NCOA3
SCHEMBL202480 0.81 MEN1 (0.45) POLBMEN1KMT2AS100A4ALDH1A1
SCHEMBL202663 0.81 POLB (0.51) POLBMEN1KMT2ANCOA1NCOA3
SCHEMBL9602589 0.81 S100A4 (0.53) POLBMEN1KMT2AS100A4ALDH1A1

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 4 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
US-4582947-A Nucleophilic displacement process for preparing 2,6-dihydrocarbonyl-4-(nitroaryl)phenol ETHYL CORPORATION (US) 1986-04-15 US disclosed