SCHEMBL31741

SCHEMBL31741

c1ccc(-c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
KDM4E B2RXH2 3/20 0.53
ATM Q13315 1/20 0.53
HDAC4 P56524 1/20 0.40
KMT2A Q03164 2/20 0.38
IL1R1 P14778 1/20 0.38
TSPO P30536 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
MAPK8 P45983 1/20 0.35
HSD17B10 Q99714 1/20 0.34
RAC2 P15153 1/20 0.34
RAC3 P60763 1/20 0.34
CDC42 P60953 1/20 0.34
RAC1 P63000 1/20 0.34
PTGER4 P35408 1/20 0.34
PTPN1 P18031 2/20 0.33
CYP1A2 P05177 2/20 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
SCHEMBL31738 1.00 L3MBTL1 (0.53) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL31705 0.98 L3MBTL1 (0.55) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL31650 0.98 L3MBTL1 (0.55) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL31860 0.98 L3MBTL1 (0.50) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL31784 0.98 L3MBTL1 (0.55) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL31866 0.98 L3MBTL1 (0.55) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL6569778 0.97 L3MBTL1 (0.52) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL16773297 0.96 L3MBTL1 (0.49) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL31778 0.96 L3MBTL1 (0.49) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL21128774 0.96 L3MBTL1 (0.51) L3MBTL1KDM4EATMHDAC4KMT2A

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