SCHEMBL31784

SCHEMBL31784

c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
KDM4E B2RXH2 3/20 0.55
ATM Q13315 1/20 0.55
HDAC4 P56524 1/20 0.41
KMT2A Q03164 2/20 0.36
MAPK8 P45983 2/20 0.36
IL1R1 P14778 1/20 0.36
TSPO P30536 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGER4 P35408 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL31705 1.00 L3MBTL1 (0.55) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL31741 0.98 L3MBTL1 (0.53) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL31738 0.98 L3MBTL1 (0.53) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL6569778 0.98 L3MBTL1 (0.52) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL31860 0.97 L3MBTL1 (0.50) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL31650 0.97 L3MBTL1 (0.55) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL31866 0.97 L3MBTL1 (0.55) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL31761 0.96 L3MBTL1 (0.50) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL16773639 0.96 L3MBTL1 (0.50) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL31637 0.95 KDM4E (0.60) 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