SCHEMBL28178787

SCHEMBL28178787

CCCCCCC(C)N(c1ccccc1)c1ccccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
CSNK1E P49674 1/20 0.38
ASAH1 Q13510 2/20 0.36
ADA P00813 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ACER2 Q5QJU3 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2493913 0.86 CSNK1E (0.41) HTR2ACSNK1EASAH1ALDH1A1ACER2
SCHEMBL571119 0.86 CSNK1E (0.41) HTR2ACSNK1EASAH1ALDH1A1ACER2
SCHEMBL28068560 0.86 CSNK1E (0.41) HTR2ACSNK1EASAH1ALDH1A1ACER2
SCHEMBL30691822 0.84 SIGMAR1 (0.42) HTR2ACSNK1EALDH1A1NPC1JAK2
SCHEMBL3457890 0.84 ALDH1A1 (0.46) HTR2ACSNK1EALDH1A1CYP1A2CYP2C9
SCHEMBL28235139 0.83 CSNK1E (0.38) HTR2ACSNK1EADAALDH1A1CYP1A2
SCHEMBL28737807 0.82 ALDH1A1 (0.47) HTR2ACSNK1EALDH1A1CYP1A2CYP2C9
SCHEMBL27754339 0.81 TAAR1 (0.38) HTR2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1810616 0.80 CSNK1E (0.36) HTR2ACSNK1EALDH1A1NPC1JAK2
SCHEMBL16874340 0.80 TSHR (0.42) HTR2ACSNK1EALDH1A1NPC1JAK2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111704690-A Copolymer composition containing ethylene and vinyl alcohol structural units and preparation method thereof 中国石油化工股份有限公司 2020-09-25 CN claimed
CN-105623163-A Copolymer composition containing ethylene and vinyl alcohol structural units and preparation method thereof CHINA PETROLEUM & CHEM CORP 2016-06-01 CN claimed
CN-105623164-A Copolymer composition containing ethylene and vinyl alcohol structure unit, and preparation method thereof UNIV BEIJING CHEMICAL TECH 2016-06-01 CN claimed
CN-108699443-A Polymerizable liquid crystal material and aggregated liquid crystal film 默克专利股份有限公司 2018-10-23 CN disclosed
CN-105849196-B Daiamid composition, products formed, LED reflecting plates and the method for suppressing the reflectivity reduction as caused by heat 旭化成株式会社 2018-04-03 CN disclosed
CN-107849456-A Polymerisable liquid crystal material and aggregated liquid crystal film 默克专利股份有限公司 2018-03-27 CN disclosed
CN-107690468-A reactive mesogen 默克专利股份有限公司 2018-02-13 CN disclosed
CN-107428905-A Polyether carbonate polyol is used for the purposes for manufacturing the polyurethane foamed material of colour stable 科思创德国股份有限公司 2017-12-01 CN disclosed
CN-107406654-A Resin composition and molded article using same 三菱瓦斯化学株式会社 2017-11-28 CN disclosed
CN-107384440-A Polymerisable liquid crystal material and aggregated liquid crystal film 默克专利股份有限公司 2017-11-24 CN disclosed
CN-107250192-A Viscoelastic polyurethane flexible foam material based on polyether carbonate polyols 科思创德国股份有限公司 2017-10-13 CN disclosed
CN-107207690-A Polyurethane foam based on polycarbonate polyol 科思创德国股份有限公司 2017-09-26 CN disclosed
CN-105623163-A Copolymer composition containing ethylene and vinyl alcohol structural units and preparation method thereof CHINA PETROLEUM & CHEM CORP 2016-06-01 CN disclosed
CN-105623164-A Copolymer composition containing ethylene and vinyl alcohol structure unit, and preparation method thereof UNIV BEIJING CHEMICAL TECH 2016-06-01 CN disclosed