SCHEMBL21113677

SCHEMBL21113677

CC(=O)c1cccc(CC=Nc2ccccc2C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
CTSA P10619 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
BRD4 O60885 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 1/20 0.32
P2RX7 Q99572 1/20 0.32
TTR P02766 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMO O15229 1/20 0.31

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
SCHEMBL21239492 0.85 NOS3 (0.36) NOS3NOS1NOS2MEN1NPC1
SCHEMBL21114208 0.83 BRD4 (0.35) BRD4MEN1NPC1RAB9AKMT2A
SCHEMBL21113708 0.81 BRD4 (0.35) BRD4ALDH1A1
SCHEMBL7075027 0.81 DHODH (0.41) BRD4MEN1KMT2AALDH1A1
SCHEMBL31252498 0.81 DHODH (0.41) BRD4MEN1KMT2AALDH1A1
SCHEMBL21114210 0.80 MRGPRX4 (0.38) MRGPRX4CTSAMAOBP2RX7ALDH1A1
SCHEMBL21113661 0.79 CYP3A4 (0.40) BRD4ALDH1A1
SCHEMBL21113697 0.78 BRD4 (0.40) MRGPRX4BRD4MEN1RAB9AKMT2A
SCHEMBL21113623 0.77 CYP3A4 (0.50) BRD4ALDH1A1
SCHEMBL21113655 0.76 KDM4E (0.39) MEN1NPC1RAB9AKMT2AALDH1A1

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