SCHEMBL17033563

SCHEMBL17033563

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6c5ccc5cc7c8ccccc8c8ccccc8n7c56)c4)c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE10A Q9Y233 1/20 0.31
KMT2A Q03164 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
SCHEMBL17033561 0.98 KDM4E (0.37) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL17033556 0.96 KDM4E (0.35) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL17033574 0.93 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL17033553 0.92 KDM4E (0.35) KDM4EATML3MBTL1KMT2A
SCHEMBL17033558 0.91 ATM (0.41) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL16066764 0.90 KDM4E (0.34) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL17033554 0.89 GP6 (0.32)
SCHEMBL17033578 0.89 ATM (0.39) KDM4EATML3MBTL1KMT2A
SCHEMBL17033579 0.88 ATM (0.38) KDM4EATML3MBTL1KMT2A
SCHEMBL17033780 0.88 KDM4E (0.38) KDM4EATML3MBTL1PDE10AKMT2A

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