SCHEMBL20052628

SCHEMBL20052628

CC(C)(C)c1cccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccc(C(C)(C)C)cc6n(-c6ccccc6)c5c4)cc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NOTUM Q6P988 1/20 0.40
PPARG P37231 4/20 0.40
PPARA Q07869 2/20 0.40
KIF11 P52732 3/20 0.38
RXRA P19793 3/20 0.37
RXRB P28702 3/20 0.37
OPRD1 P41143 2/20 0.37
MAT2A P31153 1/20 0.36
OPRM1 P35372 1/20 0.36
KMT2A Q03164 1/20 0.35
RXRG P48443 1/20 0.34
SERPINE1 P05121 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL18627212 0.95 KDM4E (0.44) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL25991421 0.93 KDM4E (0.45) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL18022262 0.92 L3MBTL1 (0.50) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL23184829 0.92 KDM4E (0.50) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL25708814 0.92 KDM4E (0.47) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL20935718 0.91 KDM4E (0.39) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL20935756 0.90 KDM4E (0.45) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL15445762 0.90 KDM4E (0.47) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL15445765 0.90 KDM4E (0.47) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL16171570 0.89 KDM4E (0.50) KDM4EATML3MBTL1ALDH1A1MAPT

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-9947878-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2018-04-17 US disclosed