SCHEMBL29409254

SCHEMBL29409254

COC1=CC(=O)C(=O)c2cnccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.61
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ CDC25B P30305 3/20 0.46
▸ CYP3A4 P08684 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ BLM P54132 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ TP53 P04637 3/20 0.44
▸ CASP1 P29466 3/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ CES2 O00748 3/20 0.44
▸ CES1 P23141 3/20 0.44
▸ IDO1 P14902 1/20 0.43
▸ CDC25A P30304 1/20 0.43
▸ TSHR P16473 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ FGFR1 P11362 1/20 0.40
▸ SRC P12931 1/20 0.40

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
SCHEMBL11088784 0.86 CDC25B (0.61) PTPN1MAOAMAOBCDC25BCYP3A4
SCHEMBL5161123 0.76 PTPN1 (1.00) PTPN1CDC25BCYP3A4MAPTBLM
SCHEMBL30081943 0.76 PTPN1 (1.00) PTPN1CDC25BCYP3A4MAPTBLM
SCHEMBL19853370 0.70 PTPN1 (0.62) PTPN1CDC25BCYP3A4MAPTCES2
SCHEMBL16685145 0.70 MAOA (0.70) MAOAMAOBCDC25BCYP3A4MAPT
SCHEMBL8417659 0.70 MAOA (0.86) MAOAMAOBCDC25BCYP3A4MAPT
SCHEMBL20618218 0.70 MAOA (0.77) MAOAMAOBCDC25BCYP3A4MAPT
SCHEMBL31112247 0.70 MAOA (0.77) MAOAMAOBCDC25BCYP3A4MAPT
SCHEMBL30616365 0.70 MAOA (0.86) MAOAMAOBCDC25BCYP3A4MAPT
SCHEMBL15855938 0.69 MAPT (0.57) MAOAMAOBCDC25BCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118930483-A Synthesis method of isoquinolone selenocyanate 新疆大学 2024-11-12 — — CN claimed
CN-116903534-A Phthalimide spironaphthalenone compound and synthesis method thereof 河南师范大学 2023-10-20 — — CN claimed
CN-114213431-A Spiro [ benzo [ d ] [1,3] oxazine-isoquinoline dione ] compound and synthetic method thereof 河南师范大学 2022-03-22 — — CN claimed
CN-121717759-A Method for synthesizing isoquinoline dione by photo-oxidation reduction catalysis 浙江工业大学 2026-03-24 — — CN disclosed
CN-120554293-A 4-SCF3Synthesis method of substituted isoquinoline dione compound 武汉软件工程职业学院(武汉开放大学) 2025-08-29 — — CN disclosed
CN-118930483-A Synthesis method of isoquinolone selenocyanate 新疆大学 2024-11-12 — — CN disclosed
CN-116903534-A Phthalimide spironaphthalenone compound and synthesis method thereof 河南师范大学 2023-10-20 — — CN disclosed
CN-116903534-A Phthalimide spironaphthalenone compound and synthesis method thereof 河南师范大学 2023-10-20 — — CN disclosed
CN-116635031-A Combinations of EXO VII inhibitors and quinolone antibiotics useful in the treatment of bacterial infections 美利坚合众国 由健康及人类服务部部长代表 2023-08-22 — — CN disclosed
CN-114752954-B Method for continuously preparing alkylated isoquinolinone compounds by utilizing microchannel reaction device 中国药科大学 2023-07-28 — — CN disclosed
CN-115108985-B Synthesis method of 4- (cyclohexylmethyl) -2, 4-dimethylisoquinoline-1, 3 (2H, 4H) -dione 浙江工业大学 2023-07-11 — — CN disclosed
CN-116284695-A Isoquinoline diketone polymer and preparation method and application thereof 中国科学院化学研究所 2023-06-23 — — CN disclosed
CN-116284695-A Isoquinoline diketone polymer and preparation method and application thereof 中国科学院化学研究所 2023-06-23 — — CN disclosed
CN-113999175-B Synthesis method of visible light catalytic sulfonyl substituted isoquinoline-1, 3 (2H, 4H) -dione 浙江工业大学 2023-05-23 — — CN disclosed
US-11583373-B2 Coloured curable composition for additive manufacturing processes, 3-dim composite article and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-02-21 — — US disclosed
CN-115108985-A Synthesis method of 4- (cyclohexylmethyl) -2, 4-dimethylisoquinoline-1, 3(2H, 4H) -diketone 浙江工业大学 2022-09-27 — — CN disclosed
EP-3504017-B1 COLOURED CURABLE COMPOSITION FOR ADDITIVE MANUFACTURING PROCESSES, 3-DIM COMPOSITE ARTICLE AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2022-03-30 — — EP disclosed
CN-114213431-A Spiro [ benzo [ d ] [1,3] oxazine-isoquinoline dione ] compound and synthetic method thereof 河南师范大学 2022-03-22 — — CN disclosed
CN-114213431-A Spiro [ benzo [ d ] [1,3] oxazine-isoquinoline dione ] compound and synthetic method thereof 河南师范大学 2022-03-22 — — CN disclosed
CN-114213431-A Spiro [ benzo [ d ] [1,3] oxazine-isoquinoline dione ] compound and synthetic method thereof 河南师范大学 2022-03-22 — — CN disclosed
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