SCHEMBL3413430

SCHEMBL3413430

O=NN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 10/20 0.52
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
CA2 P00918 1/20 0.45
AOC3 Q16853 1/20 0.44
ALOX15 P16050 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 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
SCHEMBL8845671 0.87 LMNA (0.48) G6PC1ALDH1A1TSHRCA12CA9
SCHEMBL22614351 0.83 CA12 (0.47) G6PC1ALDH1A1TSHRCA12CA9
SCHEMBL11697442 0.82 G6PC1 (0.47) G6PC1ALDH1A1TSHRCA12CA9
SCHEMBL1350144 0.82 ALDH1A1 (0.47) G6PC1ALDH1A1TSHRCA12CA9
SCHEMBL29049158 0.82 G6PC1 (0.46) G6PC1ALDH1A1TSHRCA12CA9
SCHEMBL11695902 0.80 TDP1 (0.46) G6PC1ALDH1A1TSHRCA12CA9
SCHEMBL1165535 0.76 TSHR (0.56) ALDH1A1TSHRCA12CA9CA2
SCHEMBL3360856 0.76 NPC1 (0.48) G6PC1ALDH1A1TSHRCA12CA9
SCHEMBL17454838 0.75 G6PC1 (0.52) G6PC1ALDH1A1TSHRCA12CA9
SCHEMBL8057394 0.75 LRRK2 (0.49) ALDH1A1TSHRALOX15NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119269672-A Extraction, separation and detection method for N-nitrosamine 华南理工大学 2025-01-07 CN claimed
CN-119224148-A Detection method for determining nitrosamine compounds in cold medicine based on gas chromatography-tandem mass spectrometry 绍兴市疾病预防控制中心 2024-12-31 CN claimed
CN-118225919-B Method for measuring nitrosamine compounds by QuEChERS-LC-MS/MS 浙江宏正检测有限公司 2024-11-26 CN claimed
CN-118225919-A Method for measuring nitrosamine compounds by QuEChERS-LC-MS/MS 浙江宏正检测有限公司 2024-06-21 CN claimed
CN-111751456-B Method for simultaneously and quantitatively detecting nitrosamine and nitrosamine producibility in elastomer sealing element 上海市食品药品包装材料测试所 2023-04-28 CN claimed
CN-115876896-A Method for measuring content of nitrosamines in elastic sealing body 南京西默思博检测技术有限公司 2023-03-31 CN claimed
CN-110907567-B N-nitrosamine extraction, separation and detection method 上海市食品药品检验研究院 2022-09-27 CN claimed
CN-109696499-B High-sensitivity determination method for nitrosamine in water based on high-resolution mass spectrum 中国检验检疫科学研究院 2021-06-25 CN claimed
CN-112526029-A Liquid-mass combined detection method for nitrosamine substances in plastic component 南京斯泰尔医药科技有限公司 2021-03-19 CN claimed
CN-111751456-A Method for simultaneously and quantitatively detecting nitrosamine and nitrosamine generable substances in elastomer sealing element 上海市食品药品包装材料测试所 2020-10-09 CN claimed
CN-110907567-A N-nitrosamine extraction, separation and detection method 上海市食品药品检验所 2020-03-24 CN claimed
CN-109696499-A A kind of nitrosamine Sensitive Determination method in the water based on high resolution mass spec 中国检验检疫科学研究院 2019-04-30 CN claimed
US-9896481-B2 Modified mini-hepcidin peptides and methods of using thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 US claimed
US-8623967-B2 Polymers functionalized with nitroso compounds BRIDGESTONE CORPORATION (JP) 2014-01-07 US claimed
US-20130096264-A1 POLYMERS FUNCTIONALIZED WITH NITROSO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2013-04-18 US claimed
US-8188195-B2 Polymers functionalized with nitroso compounds BRIDGESTONE CORPORATION (JP) 2012-05-29 US claimed
US-20100168378-A1 POLYMERS FUNCTIONALIZED WITH NITROSO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-07-01 US claimed
US-4053317-A N-NITROSO COMPOUND, PHOTOPOLYMERIZABLE COMPOUND TEIJIN LIMITED (JA) 1977-10-11 US claimed
US-12409255-B2 Synthetic polyisoprene latex condoms with reduced nitrosamine Thai Nippon Rubber Industry Public Company Limited (TH) 2025-09-09 US disclosed
US-3932650-A TRANQUILIZERS E. I. DU PONT DE NEMOURS & COMPANY (US) 1976-01-13 US disclosed