SCHEMBL161063

SCHEMBL161063

COc1ccc(N=C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
TSHR P16473 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA14 Q9ULX7 1/20 0.50
NOS3 P29474 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP2A6 P11509 1/20 0.46
PTGS2 P35354 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPA1 O75762 1/20 0.44

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
SCHEMBL13246064 0.94 ESR2 (0.47) CYP3A4TSHRCA1CA2CA7
SCHEMBL28101787 0.94 LTA4H (0.48) CYP3A4TSHRCA1CA2CA7
Methylene Chloride SCHEMBL28742344 0.92 CYP3A4 (0.48) CYP3A4TSHRCA1CA2CA7
SCHEMBL4599193 0.89 TRPA1 (0.53) CYP3A4TSHRALDH1A1CYP2A6PTGS2
SCHEMBL6895340 0.84 MIF (0.56) CYP3A4TSHRALDH1A1SMN1; SMN2TRPA1
SCHEMBL3047529 0.84 L3MBTL1 (0.53) TSHRHTR3EHTR3BHTR3AHTR3D
SCHEMBL8942826 0.83 ALDH1A1 (0.61) CYP3A4TSHRCA1CA2CA7
SCHEMBL4551613 0.81 CYP3A4 (0.54) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL50333 0.81 CYP3A4 (0.54) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL4544188 0.81 CYP3A4 (0.54) CYP3A4TSHRCA1CA2ALDH1A1

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

Appears in 2937 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132144-A1 METHOD FOR SYNTHESIS OF DIAZABICYCLO[6.2.0]DECANE RELATED COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2026-05-14 US claimed
US-12528777-B2 Quinazolinones derivatives for treatment of non-alcoholic fatty liver disease, preparation and use thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2026-01-20 US claimed
US-20250391929-A1 BATTERY ZHUHAI COSMX BATTERY CO., LTD. (CN) 2025-12-25 US claimed
CN-119819277-B Beta-cyclodextrin derivative chiral stationary phase based on BINAM and preparation method and application thereof 昆明医科大学 2025-05-27 CN claimed
CN-119819277-A Beta-cyclodextrin derivative chiral stationary phase based on BINAM and preparation method and application thereof 昆明医科大学 2025-04-15 CN claimed
CN-119285541-A Pyridine dimethoxy phenylsemicarbazide derivative and preparation method and application thereof 浙江师范大学行知学院 2025-01-10 CN claimed
CN-119161580-A Amide group-containing polydisulfide degradable high polymer material and preparation method thereof 衢州化工新材料创新研究院 2024-12-20 CN claimed
CN-115557936-B Preparation method and application of pomalidomide derivative serving as feed additive 河南湾流生物科技有限公司 2024-12-06 CN claimed
CN-118791720-A Method for preparing polyester by catalyzing ring-opening polymerization of cyclic monomer based on sodium salt catalyst of urea-amino acid 南京工业大学 2024-10-18 CN claimed
EP-4446309-A2 METHOD FOR SYNTHESIS OF DIAZABICYCLO[6.2.0]DECANE RELATED COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2024-10-16 EP claimed
US-20040215038-A1 Colorant precursor compositions XEROX CORPORATION 2004-10-28 US claimed
US-20040215002-A1 Colorant compositions XEROX CORPORATION 2004-10-28 US claimed
US-20040167249-A1 Phase change inks with isocyanate-derived antioxidants and UV stabilizers XEROX CORPORATION 2004-08-26 US claimed
US-6764541-B1 Colorant compositions XEROX CORPORATION 2004-07-20 US claimed
CN-1468845-A Chemical synthesis of p-methoxyphenyl isocyanate 蔡戈冬 2004-01-21 CN claimed
US-6652635-B2 Cyan phase change inks XEROX CORPORATION 2003-11-25 US claimed
US-20030079645-A1 Cyan phase change inks XEROX CORPORATION 2003-05-01 US claimed
US-5229243-A Addition polymer core, polyurethane or polythiourethane shell KAO CORPORATION (JP) 1993-07-20 US claimed
EP-0034711-A2 Process for preparing aromatic isocyanates with aromatically bound sulfochloride groups BAYER AG (DE) 1981-09-02 EP claimed
US-3940246-A Sublimation transfer and isocyanate fixation of amino- or hydroxy-containing dyestuffs and transfer sheets therefor CIBA-GEIGY AG (CH) 1976-02-24 US claimed