SCHEMBL31653

SCHEMBL31653

Cc1cc(C)cc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSPO P30536 3/20 0.40
PTGER4 P35408 1/20 0.38
HDAC4 P56524 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
NPY5R Q15761 2/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPK8 P45983 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL13130930 0.98 KDM4E (0.45) KDM4EATML3MBTL1TSPOPTGER4
SCHEMBL15306371 0.96 KDM4E (0.46) KDM4EATML3MBTL1TSPOPTGER4
SCHEMBL15306401 0.96 KDM4E (0.46) KDM4EATML3MBTL1TSPOPTGER4
SCHEMBL22140814 0.95 KDM4E (0.43) KDM4EATML3MBTL1TSPOPTGER4
SCHEMBL21416524 0.93 L3MBTL1 (0.45) KDM4EATML3MBTL1TSPOPTGER4
SCHEMBL15306448 0.90 KDM4E (0.45) KDM4EATML3MBTL1TSPOPTGER4
SCHEMBL15306419 0.90 KDM4E (0.45) KDM4EATML3MBTL1TSPOPTGER4
SCHEMBL13130931 0.90 KDM4E (0.47) KDM4EATML3MBTL1TSPOPTGER4
SCHEMBL12037272 0.90 KDM4E (0.47) KDM4EATML3MBTL1TSPOPTGER4
SCHEMBL12925433 0.90 KDM4E (0.47) KDM4EATML3MBTL1TSPOPTGER4

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
WO-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 WO disclosed