SCHEMBL7730554

SCHEMBL7730554

CC(C)c1ccccc1N=C=Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.43
SIGMAR1 Q99720 6/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
GABRA1 P14867 3/20 0.38
GABRB2 P47870 2/20 0.38
LMNA P02545 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL160103 0.92 SIGMAR1 (0.43) MIFSIGMAR1NOS3NOS1NOS2
Ethane SCHEMBL15090384 0.90 SIGMAR1 (0.42) MIFSIGMAR1NOS3NOS1NOS2
Isobutane SCHEMBL27956334 0.90 SIGMAR1 (0.42) MIFSIGMAR1NOS3NOS1NOS2
Butane SCHEMBL15090403 0.85 NOS3 (0.46) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL15090382 0.83 SIGMAR1 (0.41) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL170401 0.83 MIF (0.42) MIFGABRA1GABRB2LMNAGABRG2
SCHEMBL815068 0.81 SIGMAR1 (0.39) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL440395 0.79 NOS3 (0.42) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL29135837 0.78 SIGMAR1 (0.42) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL438911 0.78 MIF (0.33) MIFKMT2AMEN1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109897351-A A kind of preparation method of hydrolytic-resistant polylactic acid resin 宿迁博古科技有限公司 2019-06-18 CN claimed
CN-107350465-A A kind of impact resistance metallic composite and preparation method thereof 黄永兰 2017-11-17 CN claimed
CN-107331431-A A kind of transparent conducting Composite material 徐平芳 2017-11-07 CN claimed
CN-105062024-B High transparency high-temperature resistant lactic acid composite material and preparation method thereof 深圳市绿糖科技有限公司 2016-07-20 CN claimed
CN-101942183-A Resin combination and by its moulding product that form TORAY INDUSTRIES 2011-01-12 CN claimed
CN-116568744-B Resin composition, pellet, molded article, and method for producing resin composition 三菱化学株式会社 2024-09-17 CN disclosed
CN-116568744-A Resin composition, pellet, molded article, and method for producing resin composition 三菱化学株式会社 2023-08-08 CN disclosed
CN-109897351-A A kind of preparation method of hydrolytic-resistant polylactic acid resin 宿迁博古科技有限公司 2019-06-18 CN disclosed
CN-109897351-A A kind of preparation method of hydrolytic-resistant polylactic acid resin 宿迁博古科技有限公司 2019-06-18 CN disclosed
CN-106626537-B A kind of double-deck dislocation sealing welded tube 江苏冰溶管业有限公司 2018-12-04 CN disclosed
CN-106715584-B Enhance thermoplastic resin composition and molded product UMG ABS 株式会社 2018-05-22 CN disclosed
CN-107350474-A A kind of impact resistance composite metal plate and preparation method thereof 黄永兰 2017-11-17 CN disclosed
CN-103451764-A Heat-resistant polylactic acid fiber and product thereof SUZHOU LONGJIE SPECIAL FIBER 2013-12-18 CN disclosed
CN-103189920-A Hydrodynamic disk drive spindle motor with hydrodynamic bearing having lubricant SEAGATE TECHNOLOGY LLC 2013-07-03 CN disclosed
CN-101528994-A Polylactic acid fiber and method for producing same TEIJIN LTD (JP) 2009-09-09 CN disclosed
US-6486224-B2 REACTION PRODUCT OF POLYOL BLEND OF ALIPHATIC DICARBOXYLIC ACID BASED POLYESTER POLYOL, AROMATIC DICARBOXYLIC ACID BASED POLYESTER POLYOL, CHAIN EXTENDER, BLOWING AGENT, AND ISOCYANATE TERMINATED PREPOLYMER; DURABILITY, SHOE SOLES HUNTSMAN INTERNATIONAL LLC 2002-11-26 US disclosed
US-20020040071-A1 Polyurethane elastomers having improved hydrolysis resistance HUNTSMAN INTERNATIONAL LLC 2002-04-04 US disclosed
EP-1121405-A1 METHOD FOR PRODUCING LUBRICATING OILS WITH ANTI RUST PROPERTIES ExxonMobil Research and Engineering Company (US) 2001-08-08 EP disclosed
WO-2000050485-A1 POLYURETHANE ELASTOMERS HAVING IMPROVED HYDROLYSIS RESISTANCE HUNTSMAN INTERNATIONAL LLC (US) 2000-08-31 WO disclosed
WO-2000022074-A1 METHOD FOR PRODUCING LUBRICATING OILS WITH ANTI-RUST PROPERTIES EXXON RESEARCH AND ENGINEERING COMPANY (US) 2000-04-20 WO disclosed