SCHEMBL20291355

SCHEMBL20291355

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccccc7-c7ccccc7)cc65)c4)c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE10A Q9Y233 1/20 0.36
GRM5 P41594 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK14 Q16539 1/20 0.34
ABCG2 Q9UNQ0 4/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 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
SCHEMBL20291029 0.97 KDM4E (0.42) KDM4EATML3MBTL1PDE10AGRM5
SCHEMBL20291348 0.96 KDM4E (0.41) KDM4EATML3MBTL1PDE10AGRM5
SCHEMBL24361752 0.95 KDM4E (0.39) KDM4EATML3MBTL1PDE10AGRM5
SCHEMBL19845544 0.94 KDM4E (0.39) KDM4EATML3MBTL1PDE10AGRM5
SCHEMBL19845451 0.94 L3MBTL1 (0.41) KDM4EATML3MBTL1PDE10AGRM5
SCHEMBL19862595 0.94 KDM4E (0.46) KDM4EATML3MBTL1PDE10AGAA
SCHEMBL19862584 0.94 KDM4E (0.46) KDM4EATML3MBTL1PDE10AGAA
SCHEMBL19862598 0.94 KDM4E (0.46) KDM4EATML3MBTL1PDE10AGAA
SCHEMBL24872738 0.94 KDM4E (0.46) KDM4EATML3MBTL1PDE10AGAA
SCHEMBL26451232 0.94 KDM4E (0.46) KDM4EATML3MBTL1PDE10AGAA

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-2018110958-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2018-06-21 WO disclosed