SCHEMBL20114798

SCHEMBL20114798

c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)Oc6ccccc6N7c6ccccc6)c5)cc43)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
HDAC4 P56524 1/20 0.35
EDNRA P25101 4/20 0.34
EDNRB P24530 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 2/20 0.31
IL1R1 P14778 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
PDE6D O43924 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL20114594 0.97 L3MBTL1 (0.39) L3MBTL1KDM4EATMHDAC4EDNRA
SCHEMBL20114203 0.96 L3MBTL1 (0.40) L3MBTL1KDM4EATMHDAC4EDNRA
SCHEMBL20114095 0.96 ATM (0.37) L3MBTL1KDM4EATMHDAC4EDNRA
SCHEMBL20114246 0.94 L3MBTL1 (0.35) L3MBTL1KDM4EATMHDAC4EDNRA
SCHEMBL20114105 0.93 ATM (0.37) L3MBTL1KDM4EATMHDAC4EDNRA
SCHEMBL12333543 0.93 L3MBTL1 (0.46) L3MBTL1KDM4EATMHDAC4EDNRA
SCHEMBL20114370 0.92 KDM4E (0.35) L3MBTL1KDM4EATMHDAC4EDNRA
SCHEMBL20114597 0.92 ATM (0.34) L3MBTL1KDM4EATMHDAC4EDNRA
SCHEMBL20114040 0.91 L3MBTL1 (0.42) L3MBTL1KDM4EATMHDAC4EDNRA
SCHEMBL15470144 0.91 L3MBTL1 (0.42) L3MBTL1KDM4EATMHDAC4EDNRA

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-2018080067-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2018-05-03 WO disclosed