SCHEMBL21113660

SCHEMBL21113660

CCCc1ccccc1/N=C(\C)c1cccc(C(C)=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PRKCI P41743 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33

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
SCHEMBL18543904 0.93 CYP3A4 (0.37) CYP1A2NOS3NOS1NOS2ALDH1A1
SCHEMBL21113622 0.92 CYP3A4 (0.43) CYP1A2NOS3NOS1NOS2LMNA
SCHEMBL21113707 0.90 SIGMAR1 (0.41) CYP1A2NOS3NOS1NOS2ALDH1A1
SCHEMBL18543925 0.85 CYP3A4 (0.48) LMNAHTTSMN1; SMN2SIGMAR1GRIN2D
SCHEMBL5144785 0.84 SIGMAR1 (0.45) CYP1A2NOS3NOS1NOS2ALDH1A1
SCHEMBL5144787 0.84 SIGMAR1 (0.45) CYP1A2NOS3NOS1NOS2ALDH1A1
SCHEMBL18685723 0.84 CYP1A2 (0.36) CYP1A2ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5588333 0.83 SIGMAR1 (0.44) CYP1A2NOS3NOS1NOS2ALDH1A1
SCHEMBL7145153 0.83 SIGMAR1 (0.44) CYP1A2NOS3NOS1NOS2ALDH1A1
Bromide SCHEMBL28770855 0.81 SIGMAR1 (0.43) CYP1A2NOS3NOS1NOS2ALDH1A1

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