SCHEMBL17033447

SCHEMBL17033447

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(nc6c7ccccc7c7ccccc7n56)c43)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL17033473 0.98 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL17033692 0.92 POLB (0.32) KDM4EALDH1A1HPGDPOLB
SCHEMBL17033898 0.91 POLB (0.34) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL17033512 0.91 PDE10A (0.33) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL17033665 0.91 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL17033698 0.90 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL17033498 0.89 CYP1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL17033705 0.88 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL17033885 0.88 MAPT (0.32) KDM4EHSD17B10MAPTPOLBLMNA
SCHEMBL17033697 0.88 GAA (0.34) KDM4EALDH1A1HPGDHSD17B10MAPT

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