SCHEMBL1875008

SCHEMBL1875008

Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
GPR35 Q9HC97 4/20 0.56
TDP1 Q9NUW8 6/20 0.45
MAPT P10636 5/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MITF O75030 1/20 0.43
CCR6 P51684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL1091374 0.98 ALDH1A1 (0.54) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL11852192 0.98 ALDH1A1 (0.54) ALDH1A1GPR35TDP1MAPTMAPK1
Ammonia Solution, Strong SCHEMBL2831339 0.97 ALDH1A1 (0.53) ALDH1A1GPR35TDP1MAPTMAPK1
Ammonia Solution, Strong SCHEMBL5480019 0.97 ALDH1A1 (0.53) ALDH1A1GPR35TDP1MAPTMAPK1
Ammonia Solution, Strong SCHEMBL17891329 0.97 ALDH1A1 (0.53) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL4973647 0.87 GPR35 (0.48) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL5491264 0.84 ALDH1A1 (0.58) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL619394 0.79 ALDH1A1 (0.57) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL5264646 0.79 ALDH1A1 (0.53) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL7172607 0.79 ALDH1A1 (0.53) ALDH1A1GPR35TDP1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962132-B2 Solid polymer electrolyte composite membrane comprising a porous support and a solid polymer electrolyte including a dispersed reduced noble metal or noble metal oxide GINER, INC. (US) 2015-02-24 US claimed
US-20110104474-A1 Solid polymer electrolyte composite membrane comprising a porous support and a solid polymer electrolyte including a dispersed reduced noble metal or noble metal oxide PLUG POWER, INC. 2011-05-05 US claimed
CN-115379758-A Stable 1-methylcyclopropene composition and its use 福莱西因赛特股份有限公司 2022-11-22 CN disclosed
CN-111100475-B Preparation method of sulfur dye 山西临汾染化(集团)有限责任公司 2022-02-18 CN disclosed
CN-111100475-A Preparation method of sulfur dye 山西临汾染化(集团)有限责任公司 2020-05-05 CN disclosed
US-8962132-B2 Solid polymer electrolyte composite membrane comprising a porous support and a solid polymer electrolyte including a dispersed reduced noble metal or noble metal oxide GINER, INC. (US) 2015-02-24 US disclosed
US-20110104474-A1 Solid polymer electrolyte composite membrane comprising a porous support and a solid polymer electrolyte including a dispersed reduced noble metal or noble metal oxide PLUG POWER, INC. 2011-05-05 US disclosed