SCHEMBL21113650

SCHEMBL21113650

CCC(=O)c1cccc(CCC=Nc2c(C)cccc2C)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
RIPK1 Q13546 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
BRD4 O60885 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL21113694 0.87 CYP1A2 (0.35) CYP1A2RIPK1CTNNB1WNT3ABRD4
SCHEMBL21113715 0.84 BRD4 (0.32) RIPK1BRD4
SCHEMBL21113633 0.84 BRD4 (0.37) CYP1A2RIPK1BRD4MRGPRX4NPSR1
SCHEMBL21113646 0.78 KCNH2 (0.38) CYP1A2BRD4NPSR1
SCHEMBL21113703 0.76 BRD4 (0.34) CYP1A2CTNNB1WNT3ABRD4MRGPRX4
SCHEMBL21113693 0.73 CYP1A2 (0.41) CYP1A2CTNNB1WNT3ANPSR1
SCHEMBL28431821 0.73 POLB (0.39) CYP1A2BRD4MRGPRX4NPSR1
SCHEMBL21114206 0.72 BRD4 (0.33) CYP1A2RIPK1BRD4
SCHEMBL28437185 0.71 POLB (0.38) CYP1A2BRD4NPSR1
SCHEMBL21113649 0.70 CYP1A2 (0.41) CYP1A2CTNNB1WNT3ANPSR1

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 7 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
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
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