SCHEMBL8578296

SCHEMBL8578296

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
CRHR1 P34998 6/20 0.43
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
ALOX12 P18054 1/20 0.38
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.36
CYP2A6 P11509 1/20 0.36
MAPT P10636 2/20 0.36
NR4A2 P43354 1/20 0.36
LMNA P02545 2/20 0.35
PSMD14 O00487 1/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL2876218 1.00 KDM4E (0.51) KDM4ETDP1CRHR1CYP1A2ALDH1A1
SCHEMBL21753931 0.91 KDM4E (0.61) KDM4ETDP1CRHR1CYP1A2ALDH1A1
SCHEMBL1715255 0.87 KDM4E (0.61) KDM4ETDP1CRHR1CYP1A2ALDH1A1
SCHEMBL29555008 0.87 KDM4E (0.61) KDM4ETDP1CRHR1CYP1A2ALDH1A1
Zinc Ion SCHEMBL1714876 0.87 KDM4E (0.61) KDM4ETDP1CRHR1CYP1A2ALDH1A1
SCHEMBL1714432 0.87 KDM4E (0.61) KDM4ETDP1CRHR1CYP1A2ALDH1A1
SCHEMBL4557363 0.83 KDM4E (0.47) KDM4ETDP1CRHR1CYP1A2ALDH1A1
SCHEMBL4564694 0.81 KDM4E (0.48) KDM4ETDP1CRHR1CYP1A2ALDH1A1
SCHEMBL7201185 0.80 KDM4E (0.47) KDM4ETDP1CRHR1CYP1A2ALDH1A1
8-Hydroxy Quinaldine SCHEMBL2878876 0.80 METAP2 (0.47) TDP1CYP1A2SMN1; SMN2MEN1KMT2A

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
EP-0891121-A1 ORGANIC ELECTROLUMINESCENT ELEMENTS TDK Corporation (JP) 1999-01-13 EP disclosed