SCHEMBL21113652

SCHEMBL21113652

CC(=O)c1cccc(/C(C)=N/c2ccnc3ccccc23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
AGTR1 P30556 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 4/20 0.39
MEN1 O00255 1/20 0.39
PAX8 Q06710 2/20 0.37
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
PTPN1 P18031 1/20 0.35
PTPN11 Q06124 1/20 0.35
ESR1 P03372 1/20 0.35
PTK2B Q14289 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
SCHEMBL18543996 0.93 PAX8 (0.40) KMT2AAGTR1POLBALDH1A1L3MBTL1
SCHEMBL5354773 0.82 POLB (0.45) KMT2AAGTR1POLBALDH1A1CYP1A2
SCHEMBL5354775 0.82 POLB (0.45) KMT2AAGTR1POLBALDH1A1CYP1A2
SCHEMBL21113653 0.76 ALDH1A1 (0.36) KMT2AAGTR1POLBALDH1A1L3MBTL1
SCHEMBL24404241 0.75 KMT2A (0.41) KMT2AAGTR1POLBALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL5603768 0.74 POLB (0.45) KMT2AAGTR1POLBALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL6419075 0.74 POLB (0.45) KMT2AAGTR1POLBALDH1A1CYP1A2
SCHEMBL5358995 0.74 SIGMAR1 (0.46) KMT2AAGTR1POLBALDH1A1CYP1A2
SCHEMBL5354574 0.74 SIGMAR1 (0.46) KMT2AAGTR1POLBALDH1A1CYP1A2
SCHEMBL21113654 0.73 KMT2A (0.47) KMT2AAGTR1POLBALDH1A1MEN1

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