SCHEMBL21113705

SCHEMBL21113705

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 1/20 0.38
FAAH O00519 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
TLR8 Q9NR97 1/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HSP90AA1 P07900 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
SCHEMBL24404246 1.00 KCNH2 (0.40) KCNH2NPC1RAB9AALDH1A1TSHR
SCHEMBL24404244 1.00 KCNH2 (0.40) KCNH2NPC1RAB9AALDH1A1TSHR
SCHEMBL21113686 1.00 KCNH2 (0.40) KCNH2NPC1RAB9AALDH1A1TSHR
SCHEMBL21113680 0.98 TSHR (0.40) KCNH2NPC1RAB9AALDH1A1TSHR
SCHEMBL24404248 0.98 TSHR (0.40) KCNH2NPC1RAB9AALDH1A1TSHR
SCHEMBL21113640 0.94 CYP1A2 (0.40) KCNH2NPC1RAB9AALDH1A1TSHR
SCHEMBL12338693 0.92 KCNH2 (0.46) KCNH2NPC1RAB9AALDH1A1TSHR
SCHEMBL18543916 0.92 KCNH2 (0.46) KCNH2NPC1RAB9AALDH1A1TSHR
SCHEMBL18543908 0.91 KCNH2 (0.43) KCNH2NPC1RAB9AALDH1A1TSHR
SCHEMBL21113656 0.89 ALDH1A1 (0.38) KCNH2NPC1RAB9AALDH1A1TSHR

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