SCHEMBL7788656

SCHEMBL7788656

O=[N+]([O-])c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.80
CTSB P07858 5/20 0.75
ALDH1A1 P00352 5/20 0.67
AR P10275 1/20 0.60
HSD17B10 Q99714 2/20 0.55
HPRT1 P00492 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.52
CASP6 P55212 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
BRD4 O60885 1/20 0.50
LMNA P02545 1/20 0.50
HSP90AA1 P07900 1/20 0.50

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
SCHEMBL57166 0.89 TDP1 (1.00) TDP1CTSBALDH1A1HSD17B10CYP3A4
SCHEMBL29475175 0.89 TDP1 (1.00) TDP1CTSBALDH1A1HSD17B10CYP3A4
SCHEMBL7835243 0.87 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL297029 0.87 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL589663 0.87 CTSB (1.00) TDP1CTSBALDH1A1ARCYP3A4
SCHEMBL3606794 0.87 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL16990730 0.87 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL6815901 0.87 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL8722948 0.87 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10
SCHEMBL1379532 0.87 TDP1 (0.61) TDP1CTSBALDH1A1ARHSD17B10

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118712381-A Organic positive electrode of primary battery, and preparation method and application thereof 武汉大学 2024-09-27 CN claimed
WO-2024164689-A1 METHOD FOR PREPARING LITHIUM-ION BATTERY AND APPLICATION THEREOF 湖北亿纬动力有限公司 2024-08-15 WO claimed
CN-116130782-A Method for preparing lithium ion battery and application 湖北亿纬动力有限公司 2023-05-16 CN claimed
CN-106467467-A A kind of method that fixed bed continuous catalytic hydrogenation prepares diaminonaphthalene 南通龙翔化工有限公司 2017-03-01 CN claimed
CN-101481315-A Method for preparing X-substituted diaminonaphthalene from X-substituted 1, 4-dinitronaphthalene GANSU ZHONGKEYAOYUAN BIOLOG EN (CN) 2009-07-15 CN claimed
US-4758312-A Adding colorless electrochemically active compound having positive reduction potential NALCO CHEMICAL COMPANY (US) 1988-07-19 US claimed
CN-118712381-A Organic positive electrode of primary battery, and preparation method and application thereof 武汉大学 2024-09-27 CN disclosed
WO-2024164689-A1 METHOD FOR PREPARING LITHIUM-ION BATTERY AND APPLICATION THEREOF 湖北亿纬动力有限公司 2024-08-15 WO disclosed
WO-2024034545-A1 GLASS COMPOSITION, GLASS FIBERS, GLASS FILLER, PRODUCTION METHOD FOR GLASS FIBERS, AND PRODUCTION METHOD FOR GLASS FILLER 日本板硝子株式会社 2024-02-15 WO disclosed
WO-2024034546-A1 GLASS COMPOSITION, GLASS FIBER, GLASS FILLER, GLASS FIBER MANUFACTURING METHOD, AND GLASS FILLER MANUFACTURING METHOD 日本板硝子株式会社 2024-02-15 WO disclosed
US-20240043320-A1 REINFORCING GLASS FIBER, CHOPPED STRAND, FIBER SHEET, AND ROD NIPPON FIBER CORPORATION (JP) 2024-02-08 US disclosed
EP-4265574-A1 REINFORCING GLASS FIBER, CHOPPED STRAND, FIBER SHEET, AND ROD NIPPON SHEET GLASS COMPANY, LIMITED (JP) 2023-10-25 EP disclosed
CN-112812711-B High-reactivity metal-rubber hot vulcanization adhesive and application method thereof 安徽普力通新材料科技有限公司 2023-07-18 CN disclosed
US-4758312-A Adding colorless electrochemically active compound having positive reduction potential NALCO CHEMICAL COMPANY (US) 1988-07-19 US disclosed
EP-0237738-A2 Method for in situ corrosion detection using electrochemically active compounds NALCO CHEMICAL COMPANY (US) 1987-09-23 EP disclosed
US-4683035-A Method for in situ corrosion detection using electrochemically active compounds NALCO CHEMICAL COMPANY (US) 1987-07-28 US disclosed
US-4582947-A Nucleophilic displacement process for preparing 2,6-dihydrocarbonyl-4-(nitroaryl)phenol ETHYL CORPORATION (US) 1986-04-15 US disclosed
US-4226928-A PHTHALOCYANINE LAYER, AROMATIC NITRO COMPOUND, POLYVINYLCARBAZOLE PHOTOCONDUCTOR MITA INDUSTRIAL COMPANY, LTD. (JP) 1980-10-07 US disclosed
US-4214907-A Photosensitive material for electrophotography having a polyvinyl carbazole derivative, phthalocyanine, and an electron-acceptor MITA INDUSTRIAL COMPANY, LTD. (JP) 1980-07-29 US disclosed
US-4026944-A TREATING DINITRONAPHTHALENE WITH HYDROGEN, HYDROGENATION CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed