SCHEMBL31644

SCHEMBL31644

c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
SIGMAR1 Q99720 5/20 0.33
ALDH1A1 P00352 4/20 0.33
TSHR P16473 2/20 0.33
MAPK8 P45983 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
HPGD P15428 2/20 0.32
PER2 O15055 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 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
SCHEMBL31642 0.96 KDM4E (0.47) KDM4EATML3MBTL1F2F10
SCHEMBL6570873 0.95 L3MBTL1 (0.45) KDM4EATML3MBTL1F2F10
SCHEMBL12242940 0.90 KDM4E (0.50) KDM4EATML3MBTL1SIGMAR1ALDH1A1
SCHEMBL14728150 0.90 KDM4E (0.44) KDM4EATML3MBTL1F2F10
SCHEMBL19342623 0.90 KDM4E (0.46) KDM4EATML3MBTL1F2F10
SCHEMBL12242937 0.89 KDM4E (0.49) KDM4EATML3MBTL1SIGMAR1ALDH1A1
SCHEMBL23450684 0.89 L3MBTL1 (0.50) KDM4EATML3MBTL1F2F10
SCHEMBL12414435 0.89 L3MBTL1 (0.48) KDM4EATML3MBTL1F2F10
SCHEMBL13932496 0.89 L3MBTL1 (0.48) KDM4EATML3MBTL1F2F10
SCHEMBL15306405 0.88 L3MBTL1 (0.45) KDM4EATML3MBTL1SIGMAR1ALDH1A1

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