SCHEMBL22907670

SCHEMBL22907670

c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
PTPN1 P18031 2/20 0.34
APP P05067 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC4 P56524 1/20 0.32
MAPK8 P45983 1/20 0.31
RORC P51449 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
SCHEMBL24972164 0.95 L3MBTL1 (0.41) KDM4EL3MBTL1ATMPTPN1APP
SCHEMBL25672915 0.93 KDM4E (0.46) KDM4EL3MBTL1ATMPTPN1CYP1A2
SCHEMBL25672913 0.93 KDM4E (0.46) KDM4EL3MBTL1ATMPTPN1ALDH1A1
SCHEMBL24947454 0.93 KDM4E (0.40) KDM4EL3MBTL1ATMPTPN1HDAC4
SCHEMBL25673105 0.92 KDM4E (0.45) KDM4EL3MBTL1ATMPTPN1ALDH1A1
SCHEMBL25673106 0.92 KDM4E (0.45) KDM4EL3MBTL1ATMPTPN1ALDH1A1
SCHEMBL25673107 0.92 KDM4E (0.45) KDM4EL3MBTL1ATMPTPN1CYP1A2
SCHEMBL25673103 0.92 KDM4E (0.45) KDM4EL3MBTL1ATMPTPN1CYP1A2
SCHEMBL31376055 0.91 KDM4E (0.52) KDM4EL3MBTL1ATMPTPN1APP
SCHEMBL17463223 0.91 KDM4E (0.46) KDM4EL3MBTL1ATMPTPN1ALDH1A1

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