SCHEMBL21113719

SCHEMBL21113719

CCCC(=O)c1cccc(/C(CC)=N/c2ccc3ccccc3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3A P46098 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 3/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 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
SCHEMBL21113637 0.86 HTR3E (0.40) SMN1; SMN2NPC1RAB9AALDH1A1HTR3E
SCHEMBL21113632 0.76 CYP1A2 (0.39) SMN1; SMN2ALDH1A1KDM4EPOLBMAPT
SCHEMBL21113638 0.75 SMN1; SMN2 (0.34) SMN1; SMN2NPC1RAB9AALDH1A1HTR3E
SCHEMBL21113720 0.74 SMN1; SMN2 (0.34) SMN1; SMN2NPC1RAB9AALDH1A1HTR3E
SCHEMBL21113642 0.72 GABRA1 (0.38) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL21113689 0.70 HTR3E (0.46) SMN1; SMN2NPC1RAB9AALDH1A1HTR3E
SCHEMBL18543866 0.70 HTR3E (0.53) SMN1; SMN2NPC1RAB9AALDH1A1HTR3E
SCHEMBL17449370 0.68 HPGD (0.46) SMN1; SMN2ALDH1A1KDM4EHPGDGABRP
SCHEMBL21113649 0.67 CYP1A2 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL14821586 0.67 CYP1A2 (0.36) SMN1; SMN2KDM4EHPGDGABRA1GABRB1

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 8 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
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