SCHEMBL196235

SCHEMBL196235

Cc1cccnc1-c1ncccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.61
NOS3 P29474 1/20 0.56
NOS1 P29475 1/20 0.56
NOS2 P35228 1/20 0.56
METAP2 P50579 1/20 0.55
NPC1 O15118 2/20 0.45
PLAU P00749 1/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
CNR2 P34972 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP2 O95551 1/20 0.44
NSD2 O96028 1/20 0.44
ABL1 P00519 1/20 0.44
PLCG1 P19174 1/20 0.44
CES1 P23141 1/20 0.44
PAX8 Q06710 1/20 0.44
RIN1 Q13671 1/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 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
SCHEMBL29924154 1.00 CYP2A6 (0.61) CYP2A6NOS3NOS1NOS2METAP2
SCHEMBL31252534 1.00 CYP2A6 (0.61) CYP2A6NOS3NOS1NOS2METAP2
SCHEMBL4706781 0.90 CYP2A6 (0.53) CYP2A6NOS3NOS1NOS2METAP2
SCHEMBL21241343 0.87 CYP2A6 (0.55) CYP2A6NOS3NOS1NOS2METAP2
SCHEMBL24200872 0.86 CYP2A6 (0.50) CYP2A6NOS3NOS1NOS2METAP2
SCHEMBL30189517 0.86 CYP2A6 (0.50) CYP2A6NOS3NOS1NOS2METAP2
SCHEMBL28897793 0.86 ALDH1A1 (0.50) CYP2A6NOS3NOS1NOS2METAP2
SCHEMBL12320089 0.85 NOS3 (0.54) CYP2A6NOS3NOS1NOS2METAP2
SCHEMBL4160810 0.83 CYP2A6 (0.52) CYP2A6NOS3NOS1NOS2METAP2
SCHEMBL64623 0.83 CYP2A6 (0.68) CYP2A6NOS3NOS1NOS2METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271567-A Preparation method of hyperbranched modified poly (urethane-acrylic) resin and application of hyperbranched modified poly (urethane-acrylic) resin in cold-stamping connecting material 江苏众立生包装科技有限公司 2024-07-02 CN claimed
CN-118047825-A Preparation method of desacetyl erigeron glycoside 威智医药股份有限公司 2024-05-17 CN claimed
CN-115260205-B Bipyrene-doped extended porphyrin, bipropylar metal complex thereof, preparation method and application thereof 上海大学 2024-05-14 CN claimed
CN-116676795-B Dyeing process of polyester-cotton blended fabric 宜兴市新伟隆印染有限公司 2024-04-26 CN claimed
CN-117924180-A Indium-based hybrid metal halide crystal and preparation method and application thereof 中国科学院福建物质结构研究所 2024-04-26 CN claimed
CN-117894971-A Glassy metal organic framework material modified ternary positive electrode material, and preparation method and application thereof 中南大学 2024-04-16 CN claimed
CN-114315911-B Preparation method and application of pazufloxacin iridium complex 南方海洋科学与工程广东省实验室(湛江) 2024-03-26 CN claimed
CN-117659056-A Holmium complex luminescent material and preparation method and application thereof 北京石油化工学院 2024-03-08 CN claimed
CN-115353598-B Bimetal coordination porphyrin-based D-A conjugated polymer, and preparation method and application thereof 苏州大学 2024-02-02 CN claimed
CN-115477600-B Preparation method of benzyl thioether compound 浙江理工大学 2023-12-19 CN claimed
CN-101132696-A Methods and compositions for controlling ectoparasites HATCHTECH PTY LTD (AU) 2008-02-27 CN claimed
WO-2007084380-A2 COMPOUNDS AND METHODS FOR NUCLEIC ACID MISMATCH DETECTION CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-07-26 WO claimed
CN-1822854-A Methods and compositions for controlling ectoparasites HATCHTECH PTY LTD (AU) 2006-08-23 CN claimed
CN-1551801-A One-step production of 1,3-propanediol from ethylene oxide and syngas with a catalyst with a N-heterocyclic ligand ���ʿ����о����޹�˾ 2004-12-01 CN claimed
CN-1447717-A Polymerization Using In Situ Formed Late Transition Metal Catalyst Complexes EXXONMOBIL RES & ENG CO (US) 2003-10-08 CN claimed
EP-0983282-A1 METAL COMPLEX PHOTOSENSITIZER AND PHOTOVOLTAIC CELL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2000-03-08 EP claimed
EP-0958495-A1 SMALL VOLUME $i(IN VITRO) ANALYTE SENSOR E. HELLER & COMPANY (US) 1999-11-24 EP claimed
WO-1998050393-A1 METAL COMPLEX PHOTOSENSITIZER AND PHOTOVOLTAIC CELL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 1998-11-12 WO claimed
WO-1998035225-A1 SMALL VOLUME IN VITRO ANALYTE SENSOR E. HELLER & COMPANY (US) 1998-08-13 WO claimed
CN-1036688-A PORPHYRIC INSECTICIDES UNIV ILLINOIS (US) 1989-11-01 CN claimed