SCHEMBL29384557

SCHEMBL29384557

c1ccc(C2=NCCc3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.55
NOS3 P29474 2/20 0.55
NOS2 P35228 1/20 0.55
MAOA P21397 1/20 0.49
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLK1 P06870 1/20 0.42
MAPK14 Q16539 2/20 0.41
MAPK9 P45984 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL163051 1.00 MAPK10 (0.55) MAPK10NOS3NOS2MAOAALDH1A1
Hydrochloric Acid SCHEMBL27495714 0.98 MAPK10 (0.54) MAPK10NOS3NOS2MAOAALDH1A1
SCHEMBL5348300 0.89 NOS3 (0.58) MAPK10NOS3NOS2MAOAGABRA1
SCHEMBL28542282 0.85 MAPK10 (0.50) MAPK10NOS3NOS2MAOAALDH1A1
SCHEMBL29498358 0.85 MAPK10 (0.55) MAPK10NOS3NOS2MAOAALDH1A1
SCHEMBL13805616 0.85 NOS3 (0.49) MAPK10NOS3NOS2MAOAALDH1A1
SCHEMBL11269191 0.85 MAPK10 (0.55) MAPK10NOS3NOS2MAOAALDH1A1
SCHEMBL6718892 0.85 NOS3 (0.58) MAPK10NOS3NOS2MAOAALDH1A1
SCHEMBL21063722 0.85 CA1 (0.52) MAPK10NOS3NOS2MAOAALDH1A1
SCHEMBL30965936 0.85 CA1 (0.52) MAPK10NOS3NOS2MAOAALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119552116-A Preparation method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline 浙江工业大学 2025-03-04 CN claimed
CN-116218804-A Imine reductase mutant and method for preparing (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline by reduction thereof 迪嘉药业集团股份有限公司 2023-06-06 CN claimed
CN-112142663-B Synthesis method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline 中山奕安泰医药科技有限公司 2022-03-22 CN claimed
CN-119552116-B Preparation method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline 浙江工业大学 2025-11-11 CN disclosed
CN-119552116-A Preparation method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline 浙江工业大学 2025-03-04 CN disclosed
CN-119552116-A Preparation method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline 浙江工业大学 2025-03-04 CN disclosed
CN-118146154-A Method for synergistic catalysis of selective oxidative dehydrogenation of tetrahydroisoquinoline 西安石油大学 2024-06-07 CN disclosed
CN-114195713-B Method for synthesizing dihydroisoquinoline by catalyzing selective dehydrogenation of tetrahydroisoquinoline 广东众源药业有限公司 2023-11-17 CN disclosed
CN-116218804-A Imine reductase mutant and method for preparing (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline by reduction thereof 迪嘉药业集团股份有限公司 2023-06-06 CN disclosed
CN-116218804-A Imine reductase mutant and method for preparing (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline by reduction thereof 迪嘉药业集团股份有限公司 2023-06-06 CN disclosed
CN-111303145-B Small molecule fluorescent probe and application thereof in chromosome analysis and cytogenetics 陈斯杰 2023-02-28 CN disclosed
CN-112500345-B Synthetic method of alpha-cyano quaternary carbon substituted tetrahydroisoquinoline compound 西安石油大学 2022-06-21 CN disclosed
CN-112142663-B Synthesis method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline 中山奕安泰医药科技有限公司 2022-03-22 CN disclosed
CN-112142663-B Synthesis method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline 中山奕安泰医药科技有限公司 2022-03-22 CN disclosed
CN-111621805-B Method for preparing 3, 4-dihydroisoquinoline by electrocatalytic selective dehydrogenation 天津大学 2022-02-18 CN disclosed