SCHEMBL17033632

SCHEMBL17033632

c1ccc(-c2cccc(-n3c4ccccc4c4cc5cc6c7ccccc7c7ccccc7n6c5cc43)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PDE10A Q9Y233 1/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 5/20 0.34
HTT P42858 2/20 0.34
FAAH O00519 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34
MGLL Q99685 1/20 0.34
HSD17B10 Q99714 4/20 0.33
TSHR P16473 2/20 0.33
TSPO P30536 1/20 0.33
IL1R1 P14778 1/20 0.33
USP2 O75604 3/20 0.32
TP53 P04637 3/20 0.32
CYP1A2 P05177 3/20 0.32

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
SCHEMBL17033469 0.96 ATM (0.45) ATMKDM4EL3MBTL1PDE10AHTR1A
SCHEMBL17033620 0.93 KDM4E (0.38) ATMKDM4EL3MBTL1PDE10AHTR1A
SCHEMBL17033636 0.92 KDM4E (0.36) ATMKDM4EL3MBTL1PDE10AKMT2A
SCHEMBL17033629 0.91 KDM4E (0.41) ATMKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL17033617 0.91 KDM4E (0.38) ATMKDM4EL3MBTL1PDE10AKMT2A
SCHEMBL17033398 0.90 KDM4E (0.46) ATMKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL17033404 0.90 KDM4E (0.36) ATMKDM4EL3MBTL1KMT2A
SCHEMBL17033598 0.90 KDM4E (0.40) ATMKDM4EL3MBTL1PDE10AKMT2A
SCHEMBL17033772 0.90 KDM4E (0.35) ATMKDM4EL3MBTL1PDE10AKMT2A
SCHEMBL17033615 0.90 KDM4E (0.37) ATMKDM4EL3MBTL1PDE10AKMT2A

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