SCHEMBL18779644

SCHEMBL18779644

Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(C)ccc4n5-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
TSPO P30536 2/20 0.41
HDAC4 P56524 1/20 0.39
HTT P42858 2/20 0.38
HPGD P15428 2/20 0.38
PPARG P37231 2/20 0.38
NCOA2 Q15596 2/20 0.38
NCOA1 Q15788 2/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 4/20 0.38
RXFP1 Q9HBX9 2/20 0.37
BCHE P06276 1/20 0.37

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
SCHEMBL18779591 0.97 L3MBTL1 (0.50) KDM4EATML3MBTL1AKR1C4AKR1C3
SCHEMBL17178619 0.97 L3MBTL1 (0.50) KDM4EATML3MBTL1AKR1C4AKR1C3
SCHEMBL17178631 0.97 KDM4E (0.49) KDM4EATML3MBTL1AKR1C4AKR1C3
SCHEMBL23789129 0.97 KDM4E (0.49) KDM4EATML3MBTL1AKR1C4AKR1C3
SCHEMBL20091318 0.96 L3MBTL1 (0.45) KDM4EATML3MBTL1AKR1C4AKR1C3
SCHEMBL17178667 0.96 KDM4E (0.51) KDM4EATML3MBTL1AKR1C4AKR1C3
SCHEMBL17617927 0.96 L3MBTL1 (0.51) KDM4EATML3MBTL1AKR1C4AKR1C3
SCHEMBL17178965 0.96 KDM4E (0.50) KDM4EATML3MBTL1AKR1C4AKR1C3
SCHEMBL25920142 0.96 KDM4E (0.50) KDM4EATML3MBTL1AKR1C4AKR1C3
SCHEMBL24352482 0.96 KDM4E (0.46) KDM4EATML3MBTL1AKR1C4AKR1C3

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-20170117488-A1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-04-27 US disclosed
US-20170117488-A1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-04-27 US disclosed