SCHEMBL23960867

SCHEMBL23960867

CC(C)c1cc(-n2c3ccccc3c3ccccc32)cc(C(C)C)c1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR3 P46089 1/20 0.36
POLB P06746 1/20 0.35
ACHE P22303 3/20 0.33
BCHE P06276 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN1 P18031 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.31
BACE1 P56817 2/20 0.31
HDAC4 P56524 1/20 0.31
HPGD P15428 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
MAPK8 P45983 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
SCHEMBL15868775 0.81 KDM4E (0.46) KDM4EATML3MBTL1GPR3POLB
SCHEMBL10100814 0.79 KDM4E (0.47) KDM4EATML3MBTL1GPR3POLB
SCHEMBL29466692 0.78 KCNH2 (0.35) ALDH1A1HPGD
SCHEMBL28726880 0.78 KCNH2 (0.35) ALDH1A1HPGD
SCHEMBL10299028 0.77 KDM4E (0.52) KDM4EATML3MBTL1GPR3POLB
SCHEMBL15868784 0.77 KDM4E (0.52) KDM4EATML3MBTL1GPR3POLB
SCHEMBL13430740 0.76 KDM4E (0.43) KDM4EATML3MBTL1GPR3POLB
SCHEMBL29362582 0.74 KDM4E (0.71) KDM4EATML3MBTL1GPR3POLB
SCHEMBL23534547 0.74 KDM4E (0.71) KDM4EATML3MBTL1GPR3POLB
SCHEMBL64816 0.74 KDM4E (0.71) KDM4EATML3MBTL1GPR3POLB

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-20210332290-A1 ORGANIC LIGHT-EMITTING MATERIAL BASED ON A PLATINUM TETRADENTATE ONCN COMPLEX, PREPARATION METHOD AND APPLICATION THEREOF IN ORGANIC LIGHT-EMITTING DIODES GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2021-10-28 US disclosed