SCHEMBL7201185

SCHEMBL7201185

Cc1cc(C)c2cccc([O-])c2n1.Cc1cc(C)c2cccc([O-])c2n1.[Al+3].[O-]c1cccc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
CYP1A2 P05177 2/20 0.44
CRHR1 P34998 2/20 0.39
ALDH1A1 P00352 7/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NR4A2 P43354 1/20 0.35
THRB P10828 1/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4564694 0.90 KDM4E (0.48) KDM4ETDP1CYP1A2CRHR1ALDH1A1
SCHEMBL21753931 0.85 KDM4E (0.61) KDM4ETDP1CYP1A2CRHR1ALDH1A1
2-Phenylphenol SCHEMBL29555689 0.85 KDM4E (0.48) KDM4ETDP1CYP1A2CRHR1ALDH1A1
2-Phenylphenol SCHEMBL4564710 0.85 KDM4E (0.48) KDM4ETDP1CYP1A2CRHR1ALDH1A1
SCHEMBL1715255 0.82 KDM4E (0.61) KDM4ETDP1CYP1A2CRHR1ALDH1A1
Zinc Ion SCHEMBL1714876 0.82 KDM4E (0.61) KDM4ETDP1CYP1A2CRHR1ALDH1A1
SCHEMBL1714432 0.82 KDM4E (0.61) KDM4ETDP1CYP1A2CRHR1ALDH1A1
SCHEMBL29555008 0.82 KDM4E (0.61) KDM4ETDP1CYP1A2CRHR1ALDH1A1
8-Hydroxy Quinaldine SCHEMBL5183848 0.81 METAP2 (0.41) TDP1CYP1A2MEN1KMT2ALMNA
SCHEMBL2876218 0.80 KDM4E (0.51) KDM4ETDP1CYP1A2CRHR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6597109-B1 Electroluminescence apparatus comprising charge transfers compounds and electrode multilayers capable of preventing current leakage and having durability, high efficiency, brightness and displaying quality TDK CORPORATION (JP) 2003-07-22 US disclosed
EP-0892587-A2 Organic EL device and method for production thereof TDK Corporation (JP) 1999-01-20 EP disclosed