SCHEMBL29408147

SCHEMBL29408147

c1ccc2c(c1)NCCN2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPT P10636 4/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM1A O60341 1/20 0.40
POLB P06746 2/20 0.37
ALOX12 P18054 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
MPI P34949 1/20 0.37
HTT P42858 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL29144954 1.00 GAA (0.54) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL123812 1.00 GAA (0.54) GAAMEN1KMT2AMAPTKDM4E
Ammonia Solution, Strong SCHEMBL28409962 0.97 GAA (0.52) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL17758260 0.97 GAA (0.52) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL17758261 0.97 GAA (0.52) GAAMEN1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL7829799 0.97 GAA (0.52) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL8200265 0.91 MEN1 (0.48) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL13495065 0.91 MEN1 (0.48) GAAMEN1KMT2AMAPTKDM4E
Pyrazine SCHEMBL26933885 0.88 GAA (0.46) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL13444608 0.87 GAA (0.44) GAAMEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192199-A Polyaryl-containing macrocyclic compounds and uses thereof 浙江养生堂天然药物研究所有限公司 2024-12-27 CN claimed
CN-118724916-A Polyaryl-containing macrocyclic compounds and uses thereof 浙江养生堂天然药物研究所有限公司 2024-10-01 CN claimed
CN-115626889-B Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2024-04-30 CN claimed
CN-112705268-B Zwitterionic-ruthenium complexes for catalyzing aerobic oxidation reactions 香港中文大学 2024-02-13 CN claimed
CN-116676604-A Electrochemical dehydrogenation method of nitrogen heterocyclic organic hydrogen carrier 华北电力大学(保定) 2023-09-01 CN claimed
CN-116332860-A Pure organic perovskite material and preparation method thereof 南方科技大学 2023-06-27 CN claimed
CN-115626889-A Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2023-01-20 CN claimed
CN-114774944-A Electrochemical dehydrogenation method and system for organic hydrogen storage liquid 云南电网有限责任公司电力科学研究院 2022-07-22 CN claimed
CN-113024458-B Method for realizing oxidative dehydrogenation of nitrogen-containing heterocycle by biomass-based carbon material 中国科学院大连化学物理研究所 2022-06-07 CN claimed
CN-121773093-A Polymerization inhibitor 巴斯夫欧洲公司 2026-03-31 CN disclosed
CN-121321042-A Ru single-atom doped Co for electrocatalytic quinoxaline hydrogenation3O4Nanosheet catalyst 湖南大学 2026-01-13 CN disclosed
CN-121011664-A Tetrahydroquinoxalinyl organic positive electrode material, and preparation method and application thereof 郑州大学 2025-11-25 CN disclosed
WO-2025111184-A1 SUBSTITUTED TETRAHYDROQUINOLINE AND TETRAHYDROQUINOXALINE HERBICIDES FMC CORPORATION (US) 2025-05-30 WO disclosed
WO-2025111184-A1 SUBSTITUTED TETRAHYDROQUINOLINE AND TETRAHYDROQUINOXALINE HERBICIDES FMC CORPORATION (US) 2025-05-30 WO disclosed
CN-114774944-A Electrochemical dehydrogenation method and system for organic hydrogen storage liquid 云南电网有限责任公司电力科学研究院 2022-07-22 CN disclosed
CN-106232617-B Polymyxin derivatives and their use in combination therapy with different antibiotics 云顶新耀医药科技有限公司 2022-06-24 CN disclosed
CN-113024458-B Method for realizing oxidative dehydrogenation of nitrogen-containing heterocycle by biomass-based carbon material 中国科学院大连化学物理研究所 2022-06-07 CN disclosed
CN-114478405-A Preparation method of chiral nitrogen substituted tetrahydroquinoxaline 中国科学院成都生物研究所 2022-05-13 CN disclosed
CN-114127049-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-03-01 CN disclosed
CN-114008025-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-02-01 CN disclosed