SCHEMBL20291348

SCHEMBL20291348

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccccc7-c7ccccc7)cc65)c4)cc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE10A Q9Y233 1/20 0.39
GRM5 P41594 1/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
AVPR1A P37288 1/20 0.35
MAPK14 Q16539 1/20 0.34
ABCG2 Q9UNQ0 4/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 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
SCHEMBL20291355 0.96 KDM4E (0.41) KDM4EATML3MBTL1PDE10AGRM5
SCHEMBL20291029 0.96 KDM4E (0.42) KDM4EATML3MBTL1PDE10AGRM5
SCHEMBL24361752 0.94 KDM4E (0.39) KDM4EATML3MBTL1PDE10AGRM5
SCHEMBL20290903 0.94 ATM (0.47) KDM4EATML3MBTL1PDE10AMEN1
SCHEMBL19774377 0.94 ATM (0.47) KDM4EATML3MBTL1PDE10AMEN1
SCHEMBL27251969 0.94 ATM (0.47) KDM4EATML3MBTL1PDE10AMEN1
SCHEMBL20291221 0.94 ATM (0.47) KDM4EATML3MBTL1PDE10AMEN1
SCHEMBL22386813 0.94 ATM (0.47) KDM4EATML3MBTL1PDE10AMEN1
SCHEMBL22386991 0.94 ATM (0.47) KDM4EATML3MBTL1PDE10AMEN1
SCHEMBL20291258 0.93 KDM4E (0.40) KDM4EATML3MBTL1PDE10AMEN1

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