SCHEMBL1647170

SCHEMBL1647170

CN(C)c1ccc(C=O)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.66
ACHE P22303 5/20 0.61
BCHE P06276 2/20 0.59
MAPT P10636 3/20 0.57
BACE1 P56817 4/20 0.53
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
PRKDC P78527 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL2502259 0.86 MAPT (0.62) PTGS2ACHEBCHEMAPTBACE1
SCHEMBL9686162 0.86 PTGS2 (0.66) PTGS2ACHEBCHEMAPTBACE1
SCHEMBL29559360 0.83 PTGS2 (0.71) PTGS2ACHEBCHEMAPTBACE1
SCHEMBL16504670 0.83 PTGS2 (0.55) PTGS2ACHEBCHEMAPTBACE1
SCHEMBL29406605 0.83 PTGS2 (0.55) PTGS2ACHEBCHEMAPTBACE1
SCHEMBL16504671 0.83 PTGS2 (0.55) PTGS2ACHEBCHEMAPTBACE1
SCHEMBL11791340 0.82 ALDH3A1 (0.56) PTGS2ACHEBCHEMAPTBACE1
SCHEMBL11795154 0.81 PTGS2 (0.63) PTGS2ACHEBCHEMAPTBACE1
SCHEMBL11795164 0.81 PTGS2 (0.63) PTGS2ACHEBCHEMAPTBACE1
SCHEMBL4313460 0.81 ALDH1A1 (0.52) PTGS2ACHEBCHEMAPTBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850174-B Fluorescent probe for detecting amine and preparation method and application thereof 南京师范大学 2024-05-24 CN claimed
CN-115850174-A Fluorescent probe for detecting amine and preparation method and application thereof 南京师范大学 2023-03-28 CN claimed
CN-112225743-B Quinolinyl near-infrared rhodamine fluorescent dye, ratiometric fluorescent probe, and synthesis and application thereof 嘉兴学院 2021-10-08 CN claimed
CN-112225743-A Quinolinyl near-infrared rhodamine fluorescent dye, ratiometric fluorescent probe, and synthesis and application thereof 嘉兴学院 2021-01-15 CN claimed
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US claimed
CN-115611894-B Nitrogen-containing spiro compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 心远(广州)药物研究有限公司 2024-07-02 CN disclosed
CN-115850174-B Fluorescent probe for detecting amine and preparation method and application thereof 南京师范大学 2024-05-24 CN disclosed
CN-114432308-B Application of nitrogenous spiro compound or pharmaceutically acceptable salt thereof in preparation of anti-influenza A virus drugs 华南理工大学 2023-09-26 CN disclosed
CN-115850174-A Fluorescent probe for detecting amine and preparation method and application thereof 南京师范大学 2023-03-28 CN disclosed
CN-115611894-A Nitrogen-containing spiro compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 心远(广州)药物研究有限公司 2023-01-17 CN disclosed
CN-114432308-A Application of nitrogen-containing spiro compound or pharmaceutically acceptable salt thereof in preparation of anti-influenza A virus medicine 华南理工大学 2022-05-06 CN disclosed
US-4778893-A FLUORESCENT; OXIDATION OF CHALCOGENS WITH HYDROGEN PEROXIDE MILES INC. (US) 1988-10-18 US disclosed
EP-0121743-B1 OPTICAL INDICATOR CHALCOGEN COMPOUNDS AND USE MILES LABORATORIES, INC. (US) 1987-09-09 EP disclosed
US-4558130-A FLUORESCENCE ON OXIDATION BY HYDROGEN PEROXIDE; PEROXIDASE DETERMINATION MILES LABORATORIES, INC. (US) 1985-12-10 US disclosed
EP-0156261-A2 Fluorogenic dihydroquinolone and dihydrocoumarin indicators for hydrogen peroxide MILES INC. (US) 1985-10-02 EP disclosed
EP-0121743-A2 Optical indicator chalcogen compounds and use MILES LABORATORIES, INC. (US) 1984-10-17 EP disclosed
US-4219651-A FLUORESCENT DYES, OPTICAL BRIGHTENERS; CHEMICAL INTERMEDIATES HOECHST AKTIENGESELLSCHAFT (DE) 1980-08-26 US disclosed
US-3971821-A Production of aminobenzaldehydes BASF AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed