SCHEMBL1556587

SCHEMBL1556587

O=[N+]([O-])c1cccc2c1ccc1ccccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.78
HPRT1 P00492 2/20 0.77
TDP1 Q9NUW8 3/20 0.69
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
CTSB P07858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 3/20 0.49
PARP1 P09874 1/20 0.49
GAA P10253 1/20 0.47
HNF4A P41235 1/20 0.47
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
CYP2A6 P11509 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 1/20 0.46
APAF1 O14727 1/20 0.46
ATM Q13315 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46

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
SCHEMBL31677740 1.00 ALDH1A1 (0.78) ALDH1A1HPRT1TDP1NCOA1NCOA3
SCHEMBL29789001 1.00 ALDH1A1 (0.78) ALDH1A1HPRT1TDP1NCOA1NCOA3
SCHEMBL28158963 0.90 ALDH1A1 (0.96) ALDH1A1HPRT1TDP1NCOA1NCOA3
SCHEMBL57184 0.88 ALDH1A1 (1.00) ALDH1A1HPRT1TDP1CTSBSMN1; SMN2
SCHEMBL29378762 0.88 ALDH1A1 (1.00) ALDH1A1HPRT1TDP1CTSBSMN1; SMN2
SCHEMBL27780773 0.88 ALDH1A1 (1.00) ALDH1A1HPRT1TDP1CTSBSMN1; SMN2
SCHEMBL17841980 0.87 HPRT1 (0.65) ALDH1A1HPRT1TDP1NCOA1NCOA3
SCHEMBL15821069 0.87 HPRT1 (0.65) ALDH1A1HPRT1TDP1NCOA1NCOA3
SCHEMBL30878647 0.87 HPRT1 (1.00) ALDH1A1HPRT1TDP1CTSBTSHR
SCHEMBL710252 0.87 HPRT1 (1.00) ALDH1A1HPRT1TDP1CTSBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113711007-B Method for determining generation source of microparticles in atmosphere 株式会社岛津制作所 2024-10-25 CN claimed
WO-2024013308-A2 METHOD OF REDUCING NITRO COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2024-01-18 WO claimed
US-20220214283-A1 METHOD FOR IDENTIFYING GENERATION SOURCES OF FINE PARTICULATES IN ATMOSPHERE SHIMADZU CORPORATION (JP) 2022-07-07 US claimed
CN-113711007-A Method for determining generation source of fine particles in atmosphere 株式会社岛津制作所 2021-11-26 CN claimed
CN-102614088-B Dental composition and its application method containing oxidation-reduction indicator 科尔公司 2017-09-22 CN claimed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US claimed
CN-100456398-C Electrolyte for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORP (JP) 2009-01-28 CN claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 US claimed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 CN claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 EP claimed
CN-115232157-B Molecular probe based on amphiphilic BODIPY dye self-assembly to enhance photoacoustic strength, and preparation method and application thereof 中国药科大学 2025-04-18 CN disclosed
CN-112271000-B Construction and detection method of zebra fish heart failure model 东南大学 2024-11-22 CN disclosed
CN-113711007-B Method for determining generation source of microparticles in atmosphere 株式会社岛津制作所 2024-10-25 CN disclosed
CN-118241317-B Method for synthesizing nano diamond with five twin crystals based on electron beam irradiation 常熟理工学院 2024-10-22 CN disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed