SCHEMBL21113623

SCHEMBL21113623

CCCCc1ccccc1N=CCc1cccc(C(C)=O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
BID P55957 3/20 0.32
MCL1 Q07820 3/20 0.32
BCL2L1 Q07817 2/20 0.32
BAK1 Q16611 2/20 0.32
KAT8 Q9H7Z6 2/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
BRD4 O60885 1/20 0.32
EP300 Q09472 1/20 0.32
KAT2A Q92830 1/20 0.32
KAT2B Q92831 1/20 0.32

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 0.93 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9KCNH2BRD4
SCHEMBL21113708 0.89 BRD4 (0.35) CYP3A4CYP2D6CYP2C9BRD4ALDH1A1
SCHEMBL21239600 0.87 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9KCNH2TLR8
SCHEMBL21114208 0.81 BRD4 (0.35) CYP2C9LMNAHTTSMN1; SMN2THRB
SCHEMBL21113663 0.81 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C9KCNH2LMNA
SCHEMBL7075027 0.80 DHODH (0.41) LMNABRD4SAE1ALDH1A1
SCHEMBL31252498 0.80 DHODH (0.41) LMNABRD4SAE1ALDH1A1
SCHEMBL21239586 0.79 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9KCNH2ALDH1A1
SCHEMBL21113622 0.77 CYP3A4 (0.43) CYP3A4CYP2D6CYP2C9LMNAHTT
SCHEMBL21113641 0.77 KCNH2 (0.37) KCNH2LMNAHTTSMN1; SMN2BRD4

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-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
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
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