SCHEMBL93143

SCHEMBL93143

CCCc1ccccc1N=C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
CYP3A4 P08684 5/20 0.48
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TRPA1 O75762 1/20 0.35
DAO P14920 1/20 0.35
ALDH1A1 P00352 3/20 0.33
PPARA Q07869 2/20 0.33
HPGD P15428 2/20 0.33
PPARG P37231 1/20 0.33
HTR1A P08908 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR2 P34972 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33

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
SCHEMBL29651833 0.89 CYP3A4 (0.51) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL993745 0.89 CYP3A4 (0.51) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL661906 0.88 CYP3A4 (0.50) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL31109186 0.88 CYP3A4 (0.50) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL2350176 0.87 CYP3A4 (0.46) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL5884676 0.86 LIPG (0.49) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL5885360 0.86 LIPG (0.49) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL10400982 0.86 LIPG (0.49) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL5885574 0.86 LIPG (0.49) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL5885474 0.86 LIPG (0.49) GABRA1GABRB2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285502-A Free radical self-release antifouling agent containing oxime urethane group and preparation method and application thereof 哈尔滨工程大学 2025-01-10 CN claimed
CN-114395058-B Binuclear vanadium catalyst and preparation method and application thereof 合肥工业大学 2023-05-12 CN claimed
CN-114395058-A Binuclear vanadium catalyst and preparation method and application thereof 合肥工业大学 2022-04-26 CN claimed
CN-108676513-A A kind of mobile phone glass protective film and preparation method thereof 芜湖夏鑫新型材料科技有限公司 2018-10-19 CN claimed
CN-106632940-A Polycarbodiimide compounds, preparation method thereof and liquid type hydrolysis-resistant agent composition 上海华峰新材料研发科技有限公司 2017-05-10 CN claimed
EP-0904262-B1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-04-21 EP claimed
CN-119912590-A Degradable polysaccharide-based thermoplastic material and preparation method and application thereof 中国科学院化学研究所 2025-05-02 CN disclosed
CN-119285502-A Free radical self-release antifouling agent containing oxime urethane group and preparation method and application thereof 哈尔滨工程大学 2025-01-10 CN disclosed
CN-114716616-B Active polymer microsphere and preparation method thereof 清华大学 2024-03-12 CN disclosed
CN-114395058-B Binuclear vanadium catalyst and preparation method and application thereof 合肥工业大学 2023-05-12 CN disclosed
CN-114716616-A Active polymer microsphere and preparation method thereof 清华大学 2022-07-08 CN disclosed
CN-114395058-A Binuclear vanadium catalyst and preparation method and application thereof 合肥工业大学 2022-04-26 CN disclosed
CN-108192061-B Random block type aromatic polycarbodiimide compound and preparation method thereof 上海朗亿功能材料有限公司 2021-08-17 CN disclosed
WO-2002055514-A2 SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS ORTHO MCNEIL PHARM INC (US) 2002-07-18 WO disclosed
EP-1209212-A1 ADHESIVE COMPOSITION AND METHOD OF BONDING WITH THE ADHESIVE COMPOSITION SEKISUI CHEMICAL CO., LTD. (JP) 2002-05-29 EP disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
EP-1111442-A1 TREATING AGENT FOR LIQUID CRYSTAL ALIGNMENT LAYER AND LIQUID CRYSTAL DEVICE USING THE SAME, AND METHOD FOR ALIGNMENT OF LIQUID CRYSTAL Nissan Chemical Industries, Ltd. (JP) 2001-06-27 EP disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
US-3933701-A High resilience polyurethane foam OLIN CORPORATION (US) 1976-01-20 US disclosed