SCHEMBL14643532

SCHEMBL14643532

Clc1ccc2c3c(ccc4cccnc43)c3nc4ccccc4n3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.46
NR4A2 P43354 1/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HCRTR1 O43613 1/20 0.39
PDE2A O00408 2/20 0.38
PDE10A Q9Y233 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 4/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCL2 P10415 1/20 0.37
POLB P06746 2/20 0.36

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
SCHEMBL20427415 0.88 MAPT (0.44) ALDH1A1SMN1; SMN2MAPTKDM4ECASP1
SCHEMBL14644220 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTKDM4ECASP1
SCHEMBL14644201 0.84 HPGD (0.40) ALDH1A1SMN1; SMN2MAPTKDM4ECASP1
SCHEMBL14644805 0.84 AHR (0.53) AHRALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL18069034 0.83 KDM4E (0.43) ALDH1A1SMN1; SMN2MAPTKDM4ECASP1
SCHEMBL14644238 0.82 HPGD (0.41) ALDH1A1SMN1; SMN2MAPTKDM4ECASP1
SCHEMBL10041679 0.82 KDM4E (0.46) AHRNR4A2ALDH1A1SMN1; SMN2MAPT
SCHEMBL14643499 0.81 ALDH1A1 (0.43) AHRALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL14644203 0.81 HPGD (0.40) ALDH1A1SMN1; SMN2MAPTKDM4ECASP1
SCHEMBL15113071 0.81 KDM4E (0.43) ALDH1A1SMN1; SMN2MAPTKDM4ECASP1

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-2730634-B1 NOVEL COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEMICAL LTD (KR) 2019-10-09 EP disclosed
US-9000169-B2 Compounds and organic electronic device using the same LG CHEM, LTD. (KR) 2015-04-07 US disclosed
US-9000169-B2 Compounds and organic electronic device using the same LG CHEM, LTD. (KR) 2015-04-07 US disclosed
US-20130181196-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2013-07-18 US disclosed
US-20130181196-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2013-07-18 US disclosed
WO-2013009013-A2 NOVEL COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME 주식회사 엘지화학 (KR) 2013-01-17 WO disclosed