SCHEMBL21113625

SCHEMBL21113625

CCCc1cccc(/N=C(\C)c2cccc(C(C)=O)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
NOS1 P29475 13/20 0.43
NOS2 P35228 6/20 0.39
NOS3 P29474 4/20 0.39
SORT1 Q99523 1/20 0.36
AOC3 Q16853 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
CYP1A2 P05177 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
SCHEMBL21113717 0.86 AOC3 (0.39) NOS1NOS2NOS3SORT1AOC3
SCHEMBL21113662 0.79 ALDH1A1 (0.43) AOC3CYP1A2
SCHEMBL18543978 0.79 NOS3 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21113696 0.78 KDM4E (0.44) NOS1NOS3CYP1A2
SCHEMBL21113674 0.78 PLAU (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21113626 0.77 BRD4 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31252537 0.77 BRD4 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21113689 0.75 HTR3E (0.46) SIGMAR1
SCHEMBL21113660 0.75 CYP1A2 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18685723 0.75 CYP1A2 (0.36) CYP1A2

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