SCHEMBL31778

SCHEMBL31778

c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc2n4-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
TSPO P30536 4/20 0.43
HDAC4 P56524 1/20 0.38
PTGER4 P35408 1/20 0.36
KMT2A Q03164 2/20 0.36
IL1R1 P14778 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAC2 P15153 1/20 0.34
RAC3 P60763 1/20 0.34
CDC42 P60953 1/20 0.34
RAC1 P63000 1/20 0.34
NPY5R Q15761 1/20 0.34
DNM1 Q05193 1/20 0.33
MAPK8 P45983 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL31761 0.99 L3MBTL1 (0.50) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL15306440 0.97 L3MBTL1 (0.51) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL16589915 0.97 L3MBTL1 (0.51) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL16557346 0.97 L3MBTL1 (0.51) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL13130937 0.97 L3MBTL1 (0.51) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL13130886 0.97 L3MBTL1 (0.51) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL13130901 0.97 L3MBTL1 (0.51) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL12196083 0.97 L3MBTL1 (0.51) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL13130899 0.97 L3MBTL1 (0.51) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL15306403 0.97 L3MBTL1 (0.51) L3MBTL1KDM4EATMTSPOHDAC4

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