SCHEMBL22907668

SCHEMBL22907668

N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.35
TSPO P30536 1/20 0.33
RORC P51449 2/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A3 P47895 1/20 0.30
KDM1A O60341 1/20 0.30
MCHR1 Q99705 1/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CLK4 Q9HAZ1 2/20 0.30
PGR P06401 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL22907466 0.94 KDM4E (0.35) PTGER4RORCKDM4EATML3MBTL1
SCHEMBL22907672 0.94 KDM4E (0.35) PTGER4RORCKDM4EATML3MBTL1
SCHEMBL22907669 0.91 TSPO (0.38) PTGER4TSPOKDM4EATML3MBTL1
SCHEMBL15764072 0.89 L3MBTL1 (0.41) PTGER4TSPOKDM4EATML3MBTL1
SCHEMBL21687619 0.89 KDM4E (0.38) PTGER4PIK3CDPIK3CAKDM4EATM
SCHEMBL22907470 0.89 RORC (0.34) PTGER4RORCKDM4EATML3MBTL1
SCHEMBL22907671 0.88 TSPO (0.33) TSPOKDM4EATML3MBTL1
SCHEMBL17463229 0.87 L3MBTL1 (0.38) PTGER4RORCKDM4EATML3MBTL1
SCHEMBL21687747 0.87 KDM4E (0.36) PTGER4PIK3CDPIK3CAKDM4EATM
SCHEMBL21687694 0.87 KDM4E (0.36) PTGER4PIK3CDPIK3CAKDM4EATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210020854-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-01-21 US disclosed