SCHEMBL21113708

SCHEMBL21113708

CCc1ccccc1N=CCc1cccc(C(C)=O)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PDE5A O76074 10/20 0.32
SIGMAR1 Q99720 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL21113661 0.91 CYP3A4 (0.40) BRD4CYP3A4CYP2D6CYP2C9IRAK4
SCHEMBL21113623 0.89 CYP3A4 (0.50) BRD4CYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL6062806 0.86 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9ALDH1A1SIGMAR1
SCHEMBL21114208 0.86 BRD4 (0.35) BRD4CYP2C9ALDH1A1PDE5ANPSR1
SCHEMBL7075027 0.85 DHODH (0.41) BRD4ALDH1A1NPSR1
SCHEMBL31252498 0.85 DHODH (0.41) BRD4ALDH1A1NPSR1
SCHEMBL21113677 0.81 CTNNB1 (0.36) BRD4ALDH1A1
SCHEMBL21113697 0.81 BRD4 (0.40) BRD4IRAK4ALDH1A1PDE5ANPSR1
SCHEMBL21113675 0.80 CYP2C9 (0.39) BRD4CYP2C9IRAK4ALDH1A1PDE5A
SCHEMBL21113655 0.79 KDM4E (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3517555-B1 CATALYST COMPONENT FOR USE IN OLEFIN POLYMERIZATION, CATALYST, AND APPLICATIONS THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2024-11-27 EP claimed
CN-107868155-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2020-09-15 CN claimed
CN-107868149-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2020-07-24 CN claimed
CN-107868153-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2020-07-24 CN claimed
CN-107868154-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2020-07-24 CN claimed
EP-3517555-A1 CATALYST COMPONENT FOR USE IN OLEFIN POLYMERIZATION, CATALYST, AND APPLICATIONS THEREOF China Petroleum&Chemical Corporation (CN) 2019-07-31 EP claimed
US-20190211119-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST, AND USE THEREOF BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2019-07-11 US claimed
EP-3517555-B1 CATALYST COMPONENT FOR USE IN OLEFIN POLYMERIZATION, CATALYST, AND APPLICATIONS THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2024-11-27 EP disclosed
US-11325994-B2 Catalyst component for olefin polymerization, catalyst, and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2022-05-10 US disclosed
CN-107868155-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2020-09-15 CN disclosed
CN-107868149-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2020-07-24 CN disclosed
CN-107868154-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2020-07-24 CN disclosed
CN-107868153-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2020-07-24 CN disclosed
EP-3517555-A1 CATALYST COMPONENT FOR USE IN OLEFIN POLYMERIZATION, CATALYST, AND APPLICATIONS THEREOF China Petroleum&Chemical Corporation (CN) 2019-07-31 EP disclosed
US-20190211119-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST, AND USE THEREOF BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2019-07-11 US disclosed