SCHEMBL6048769

SCHEMBL6048769

Nc1ccc(N)c([N+](=O)[O-])c1N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 6/20 0.45
CYP3A4 P08684 3/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 3/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL30488438 1.00 MEN1 (0.48) MEN1KMT2AUSP2KEAP1NFE2L2
Aniline SCHEMBL10525035 0.88 ALDH1A1 (0.47) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL27832802 0.87 MEN1 (0.53) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL597745 0.84 ALDH1A1 (0.50) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL2145662 0.84 ALDH1A1 (0.50) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL1030166 0.82 ALDH1A1 (0.50) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL2056645 0.82 TSHR (0.55) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL31419076 0.82 ALDH1A1 (0.50) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL3756443 0.82 ALDH1A1 (0.42) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL31634614 0.82 GAA (0.55) MEN1KMT2AUSP2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880778-B Method for preparing 6-amino-5-nitroquinoxaline 安徽皓元药业有限公司 2023-07-25 CN disclosed
CN-113880778-A Method for preparing 6-amino-5-nitroquinoxaline 安徽皓元药业有限公司 2022-01-04 CN disclosed
EP-1664236-A1 PHOTOREFRACTIVE COMPOSITION Nitto Denko Corporation (JP) 2006-06-07 EP disclosed
WO-2005023962-A1 PHOTOREFRACTIVE COMPOSITION NITTO DENKO CORPORATION (JP) 2005-03-17 WO disclosed
US-20050051758-A1 Polysiloxane with pendant triphenylamine groups; photoconductive (charge transport) and non-linear optical ability; sensitizers, plasticizers NITTO DENKO CORPORATION (JP) 2005-03-10 US disclosed