SCHEMBL17033780

SCHEMBL17033780

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6c7cc8c9ccccc9c9ccccc9n8c7ccc65)c4)c3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE10A Q9Y233 1/20 0.33
KMT2A Q03164 2/20 0.32
ABCG2 Q9UNQ0 3/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL17033794 0.98 KDM4E (0.40) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL17033859 0.92 KDM4E (0.37) KDM4EATML3MBTL1KMT2ARXFP1
SCHEMBL17033857 0.91 KDM4E (0.38) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL17033803 0.89 ATM (0.45) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL17033809 0.88 KDM4E (0.31) KDM4EATML3MBTL1TSHR
SCHEMBL17033807 0.88 ATM (0.41) KDM4EATML3MBTL1KMT2ATSHR
SCHEMBL17033563 0.88 KDM4E (0.35) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL17033478 0.87 KDM4E (0.39) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL17033797 0.87 ATM (0.41) KDM4EATML3MBTL1KMT2ATSHR
SCHEMBL23805777 0.87 L3MBTL1 (0.45) KDM4EATML3MBTL1KMT2AABCG2

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