SCHEMBL17033774

SCHEMBL17033774

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc6cc7c8ccccc8c8ccccc8n7c6cc54)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAC2 P15153 1/20 0.36
RAC3 P60763 1/20 0.36
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36
PTGER4 P35408 1/20 0.32
NPY5R Q15761 1/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 2/20 0.31
ABCG2 Q9UNQ0 3/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL17033598 0.97 KDM4E (0.40) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL17033617 0.94 KDM4E (0.38) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL17033752 0.94 KDM4E (0.38) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL17033772 0.94 KDM4E (0.35) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL17033460 0.93 KDM4E (0.41) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL17033620 0.92 KDM4E (0.38) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL17033478 0.91 KDM4E (0.39) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL17033612 0.90 KDM4E (0.38) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL17033600 0.90 L3MBTL1 (0.41) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL17033753 0.89 KDM4E (0.32) KDM4EATML3MBTL1RAC2RAC3

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed