SCHEMBL17562183

SCHEMBL17562183

c1ccc(-n2c3ccccc3c3cc(-c4cccc5c(-c6ccc7c(c6)c6ccccc6n7-c6cccc7ccccc67)cccc45)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.41
MCL1 Q07820 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PTGER4 P35408 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TLR4 O00206 1/20 0.34
KMT2A Q03164 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33

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
SCHEMBL18516488 0.97 L3MBTL1 (0.49) KDM4EATML3MBTL1POLBMCL1
SCHEMBL19319906 0.97 L3MBTL1 (0.49) KDM4EATML3MBTL1POLBMCL1
SCHEMBL19319910 0.96 KDM4E (0.45) KDM4EATML3MBTL1POLBMCL1
SCHEMBL18717887 0.96 KDM4E (0.47) KDM4EATML3MBTL1POLBMCL1
SCHEMBL18717896 0.96 KDM4E (0.47) KDM4EATML3MBTL1POLBMCL1
SCHEMBL18717895 0.96 KDM4E (0.47) KDM4EATML3MBTL1POLBMCL1
SCHEMBL18717888 0.94 L3MBTL1 (0.45) KDM4EATML3MBTL1POLBMCL1
SCHEMBL18717883 0.94 KDM4E (0.45) KDM4EATML3MBTL1POLBMCL1
SCHEMBL17562238 0.94 KDM4E (0.45) KDM4EATML3MBTL1POLBMCL1
SCHEMBL9888811 0.93 L3MBTL1 (0.53) KDM4EATML3MBTL1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210351358-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2021-11-11 US disclosed
WO-2016036207-A1 A HOLE TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-03-10 WO disclosed