SCHEMBL17033787

SCHEMBL17033787

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5cc6c7ccccc7c7ccccc7n6c5ccc43)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
ACP1 P24666 2/20 0.31
PDE10A Q9Y233 1/20 0.30
PDE5A O76074 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
SCHEMBL17033865 0.97 MEN1 (0.33) KDM4EL3MBTL1ATMTSHRHSD17B10
SCHEMBL17033809 0.93 KDM4E (0.31) KDM4EL3MBTL1ATMTSHRHSD17B10
SCHEMBL17033796 0.90 BMX (0.35) KDM4EATMTSHRKMT2AMEN1
SCHEMBL17033807 0.90 ATM (0.41) KDM4EL3MBTL1ATMTSHRHSD17B10
SCHEMBL17033797 0.89 ATM (0.41) KDM4EL3MBTL1ATMTSHRHSD17B10
SCHEMBL17033784 0.88 L3MBTL1 (0.35) KDM4EL3MBTL1ATMTSHRHSD17B10
SCHEMBL12691493 0.88 L3MBTL1 (0.36) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL17033794 0.88 KDM4E (0.40) KDM4EL3MBTL1ATMTSHRHSD17B10
SCHEMBL12690995 0.88 L3MBTL1 (0.37) KDM4EL3MBTL1ATMKMT2AMEN1
SCHEMBL17033392 0.86 KDM4E (0.32) KDM4EL3MBTL1ATMTSHRHSD17B10

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