SCHEMBL3255665

SCHEMBL3255665

c1cnc(-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.53
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GAA P10253 2/20 0.50
PTPRC P08575 2/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
PTPN13 Q12923 1/20 0.47
CYP3A4 P08684 1/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TGFBR1 P36897 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL27630511 0.87 KDM4E (0.46) BCHEKDM4EALDH1A1MAPTHPGD
SCHEMBL15901793 0.85 BCHE (0.57) BCHEKDM4EALDH1A1MAPTHPGD
SCHEMBL8129741 0.83 CYP1A2 (0.50) BCHEKDM4EALDH1A1MAPTHPGD
SCHEMBL29730423 0.83 CYP1A2 (0.50) BCHEKDM4EALDH1A1MAPTHPGD
SCHEMBL21033797 0.83 ALDH1A1 (0.50) BCHEKDM4EALDH1A1MAPTHPGD
SCHEMBL6637133 0.83 CYP1A2 (0.50) BCHEKDM4EALDH1A1MAPTHPGD
SCHEMBL28312221 0.83 ALDH1A1 (0.50) BCHEKDM4EALDH1A1MAPTHPGD
SCHEMBL7496509 0.83 BCHE (0.49) BCHEKDM4EALDH1A1MAPTHPGD
SCHEMBL27149229 0.83 KDM4E (0.50) BCHEKDM4EALDH1A1MAPTHPGD
SCHEMBL4745841 0.82 ALDH1A1 (0.44) BCHEKDM4EALDH1A1MAPTHPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1969607-B1 A COMPOSITION OF INSULATING FLUID AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-03-10 EP claimed
EP-2862862-B1 ORGANIC LIGHT EMITTING DEVICE COMPRISING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND LG CHEMICAL LTD (KR) 2019-01-02 EP disclosed
CN-104245697-B Nitrogen-containing heterocyclic compound and organic electronic device comprising same 株式会社LG化学 2018-04-17 CN disclosed
US-9203033-B2 Nitrogen-containing heterocyclic compounds and organic electronic device comprising the same LG CHEM, LTD. (KR) 2015-12-01 US disclosed
EP-2862862-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2015-04-22 EP disclosed
US-20140209884-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME LG CHEM LTD. (KR) 2014-07-31 US disclosed