SCHEMBL580071

SCHEMBL580071

CCc1cc(C)cc(CC)c1N

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 5/20 0.43
NOS2 P35228 5/20 0.43
NOS3 P29474 4/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.42
NOS1 P29475 3/20 0.41
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 1/20 0.34
HEXA P06865 1/20 0.34
HEXB P07686 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 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
SCHEMBL28189886 0.97 HTT (0.50) HTTPOLBALDH1A1NOS2NOS3
Bromide SCHEMBL28270726 0.97 HTT (0.50) HTTPOLBALDH1A1NOS2NOS3
Hydrochloric Acid SCHEMBL2495588 0.97 HTT (0.50) HTTPOLBALDH1A1NOS2NOS3
Nitrogen SCHEMBL28320966 0.95 HTT (0.48) HTTPOLBALDH1A1NOS2NOS3
SCHEMBL27684569 0.91 HTT (0.45) HTTPOLBALDH1A1NOS2NOS3
SCHEMBL2038792 0.87 ALDH1A1 (0.52) HTTPOLBALDH1A1NOS2NOS3
SCHEMBL5430753 0.84 HTT (0.39) HTTPOLBALDH1A1NOS2NOS3
SCHEMBL5430807 0.84 HTT (0.39) HTTPOLBALDH1A1NOS2NOS3
SCHEMBL18409252 0.84 HTT (0.39) HTTPOLBALDH1A1NOS2NOS3
SCHEMBL20706615 0.80 HTT (0.37) HTTPOLBALDH1A1NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118894786-A Preparation method of 2, 6-diethyl-4-methylphenyl malonamide 江苏七洲绿色科技研究院有限公司 2024-11-05 CN claimed
CN-114907181-B Device for sandmeyer reaction and method for continuously preparing 2, 6-diethyl-4-methyl bromobenzene 北京颖泰嘉和生物科技股份有限公司 2024-04-23 CN claimed
CN-114181112-B Preparation method of 2, 6-diethyl-4-methylphenyl malononitrile 浙江中山化工集团股份有限公司 2024-01-09 CN claimed
CN-117050616-A Water-based epoxy ester coating and preparation method and application thereof 广州集泰化工股份有限公司 2023-11-14 CN claimed
CN-116573986-A Synthesis method of 2, 6-diethyl-4-methyl bromobenzene 顺毅南通化工有限公司 2023-08-11 CN claimed
CN-113571257-B Method for improving lap joint of silver paste and nano silver wire conductive film 苏州诺菲纳米科技有限公司 2023-08-08 CN claimed
CN-116283484-A Post-treatment method of pinoxaden intermediate 顺毅南通化工有限公司 2023-06-23 CN claimed
CN-115322309-B Organosilicon acrylic emulsion and preparation method and application thereof 广州海豚新材料有限公司 2023-05-09 CN claimed
CN-115322309-A Organosilicon acrylic emulsion and preparation method and application thereof 广州海豚新材料有限公司 2022-11-11 CN claimed
CN-114907181-A Device for sandmeyer reaction and method for continuously preparing 2, 6-diethyl-4-methyl bromobenzene 北京颖泰嘉和生物科技股份有限公司 2022-08-16 CN claimed
CN-107540703-A A kind of methylaniline of 2,6 diethyl 4 prepares catalyst mixture 宁夏海诚电化信息科技有限公司 2018-01-05 CN claimed
CN-105940039-A Polyimide and film using the same 可隆工业株式会社 2016-09-14 CN claimed
EP-2417125-B1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-09-09 EP claimed
US-8772280-B2 N-aryl-2-(2-arylaminopyrimidin-4-yl)pyrrol-4-carboxamide derivatives as MPS1 kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-08 US claimed
US-20130149931-A1 Multilayer Laminated Articles Including Poly(ureaurethane) Layers and Methods of Making the Same PPG INDUSTRIES OHIO, INC. (US) 2013-06-13 US claimed
EP-2417125-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-15 EP claimed
WO-2010108921-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-09-30 WO claimed
CN-101291990-A Thermosetting resin composition and use thereof NIPPON KAYAKU KK (JP) 2008-10-22 CN claimed
CN-1320058-C Curable emulsions and abrasive articles therefrom 3M INNOVATIVE PROPERTIES CO (US) 2007-06-06 CN claimed
CN-1701096-A Curable emulsions and abrasive articles made therefrom 3M INNOVATIVE PROPERTIES CO (US) 2005-11-23 CN claimed