SCHEMBL15901800

SCHEMBL15901800

c1ccc2c(-c3ccnc(-c4cccc5ccccc45)n3)cccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
HPGD P15428 5/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HSD17B10 Q99714 4/20 0.47
NPC1 O15118 3/20 0.47
MAPK1 P28482 3/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 1/20 0.45
BCHE P06276 1/20 0.44
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
CYP2A6 P11509 1/20 0.42
F12 P00748 1/20 0.42
PLAU P00749 1/20 0.42
NCF1 P14598 1/20 0.42

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
SCHEMBL18731803 0.87 MAPT (0.53) HTR2CALDH1A1KDM4EHPGDMAPT
SCHEMBL18732404 0.87 MAPT (0.49) HTR2CALDH1A1KDM4EHPGDMAPT
SCHEMBL20610828 0.87 KDM4E (0.46) HTR2CALDH1A1KDM4EHPGDMAPT
SCHEMBL1761926 0.84 ALDH1A1 (0.53) HTR2CALDH1A1KDM4EHPGDMAPT
SCHEMBL30601328 0.84 ALDH1A1 (0.53) HTR2CALDH1A1KDM4EHPGDMAPT
SCHEMBL17689697 0.82 PIM1 (0.47) HTR2CALDH1A1KDM4EHPGDMAPT
SCHEMBL5786591 0.81 MAPT (0.43) HTR2CALDH1A1KDM4EHPGDMAPT
SCHEMBL4738230 0.81 CCNT1 (0.60) CCNT1CCNA2CDK2CDK9F12
SCHEMBL5786593 0.81 MAPT (0.43) HTR2CALDH1A1KDM4EHPGDMAPT
SCHEMBL31452201 0.81 MAPT (0.43) HTR2CALDH1A1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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