SCHEMBL21113718

SCHEMBL21113718

CCCc1ccc(N=CCc2cccc(C(C)=O)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
NR2F2 P24468 1/20 0.34
PAX8 Q06710 1/20 0.34
KLF5 Q13887 1/20 0.34
THRB P10828 2/20 0.34
BRD4 O60885 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP4Z1 Q86W10 3/20 0.33
PLK1 P53350 1/20 0.32
MAOB P27338 1/20 0.32
CYP4F11 Q9HBI6 1/20 0.32
CYP4F12 Q9HCS2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 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
SCHEMBL21113663 0.93 CYP3A4 (0.44) AOC3CYP3A4CYP2D6CYP2C9THRB
SCHEMBL21113675 0.90 CYP2C9 (0.39) AOC3CYP2C9BRD4NPC1ALDH1A1
SCHEMBL31252537 0.88 BRD4 (0.37) BRD4ALDH1A1KMT2AIRAK4
SCHEMBL21113626 0.88 BRD4 (0.37) BRD4ALDH1A1KMT2AIRAK4
SCHEMBL21239561 0.86 CYP2C9 (0.39) AOC3CYP3A4CYP2D6CYP2C9THRB
SCHEMBL21113697 0.84 BRD4 (0.40) BRD4ALDH1A1MAPTRAB9AKMT2A
SCHEMBL21113667 0.84 MRGPRX4 (0.41) NPC1MAPTRAB9AKMT2A
SCHEMBL21114210 0.81 MRGPRX4 (0.38) MAOBALDH1A1MAPT
SCHEMBL21113661 0.80 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9BRD4ALDH1A1
SCHEMBL21113690 0.79 KMT2A (0.36) BRD4NPC1ALDH1A1MAPTRAB9A

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