SCHEMBL5860030

SCHEMBL5860030

O=[N+]([O-])c1c(O)c([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.46
GPR35 Q9HC97 5/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TTR P02766 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1502113 0.97 S100A4 (0.48) S100A4GPR35MEN1KMT2ALMNA
SCHEMBL20985115 0.97 S100A4 (0.48) S100A4GPR35MEN1KMT2ALMNA
SCHEMBL28666838 0.93 S100A4 (0.46) S100A4GPR35MEN1KMT2ALMNA
SCHEMBL31123045 0.93 S100A4 (0.46) S100A4GPR35MEN1KMT2ALMNA
SCHEMBL5860034 0.93 S100A4 (0.46) S100A4GPR35MEN1KMT2ALMNA
SCHEMBL28726007 0.93 S100A4 (0.46) S100A4GPR35MEN1KMT2ALMNA
Water SCHEMBL3516244 0.93 S100A4 (0.46) S100A4GPR35MEN1KMT2ALMNA
Methyl Alcohol SCHEMBL29086936 0.90 S100A4 (0.44) S100A4GPR35MEN1KMT2ALMNA
SCHEMBL70525 0.90 S100A4 (0.44) S100A4GPR35MEN1KMT2ALMNA
SCHEMBL28204837 0.90 S100A4 (0.44) S100A4GPR35MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106831889-B Biferrocene Triazole ligand and its ionic type metal complex and preparation method 陕西师范大学 2018-10-23 CN claimed
CN-106831889-A Biferrocene Triazole ligand and its ionic type metal complex and preparation method 陕西师范大学 2017-06-13 CN claimed
US-11814332-B2 Bismuth-based energetic materials SELLIER & BELLOT A.S. (CZ) 2023-11-14 US disclosed
EP-3066054-B1 BISMUTH-BASED ENERGETIC MATERIALS SELLIER & BELLOT AS (CZ) 2021-03-24 EP disclosed
US-20190152873-A1 BISMUTH-BASED ENERGETIC MATERIALS SELLIER & BELLOT A.S. (CZ) 2019-05-23 US disclosed
CN-106831889-B Biferrocene Triazole ligand and its ionic type metal complex and preparation method 陕西师范大学 2018-10-23 CN disclosed
CN-106831889-A Biferrocene Triazole ligand and its ionic type metal complex and preparation method 陕西师范大学 2017-06-13 CN disclosed
US-20160280614-A1 BISMUTH-BASED ENERGETIC MATERIALS SELLIER & BELLOT A.S. (CZ) 2016-09-29 US disclosed
EP-3066054-A1 BISMUTH-BASED ENERGETIC MATERIALS Sellier & Bellot A.S. (CZ) 2016-09-14 EP disclosed
WO-2015067228-A1 BISMUTH-BASED ENERGETIC MATERIALS SELLIER & BELLOT A.S. (CZ) 2015-05-14 WO disclosed
US-7057073-B2 Synthesis of trinitrophloroglucinol and triaminotrinitrobenzene (TATB) REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-06-06 US disclosed
US-20050070743-A1 Synthesis of trinitrophloroglucinol and triaminotrinitrobenzene (TATB) LAWRENCE LIVERMORE NATIONAL SECURITY, LLC 2005-03-31 US disclosed