SCHEMBL5838768

SCHEMBL5838768

O=C([O-])c1nc2ccccc2cc1O.O=C([O-])c1nc2ccccc2cc1O.O=C([O-])c1nc2ccccc2cc1O.[B+3]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 6/20 0.50
HPGD P15428 4/20 0.50
GAA P10253 2/20 0.50
STAT3 P40763 1/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.43
GLA P06280 2/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PIM1 P11309 2/20 0.41
IKBKB O14920 1/20 0.41
RXFP1 Q9HBX9 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MGAM O43451 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HSD17B14 Q9BPX1 1/20 0.37

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
SCHEMBL1764824 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL8780478 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL8780492 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL8780487 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL243748 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAASTAT3
Lithium Ion SCHEMBL2146458 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL6196574 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAASTAT3
Zinc Ion SCHEMBL10395382 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL60874 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL2975427 0.80 KDM4E (0.56) ALDH1A1KDM4EHPGDGAASTAT3

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
US-7108802-B2 Electroluminescent material containing a conjugated polymer or metal complexes inside zeolites and porous materials and the preparation method thereof CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2006-09-19 US claimed
US-20050163992-A1 Electroluminescent material containing a conjugated polymer or earth metal complexes inside zeolites and porous materials and the preparation method thereof UNIVERSIDAD POLITECNICA DE VALENCIA (ES) 2005-07-28 US claimed
EP-1541526-A1 ELECTROLUMINESCENT MATERIAL CONTAINING A CONJUGATED POLYMER OR EARTH METAL COMPLEXES INSIDE ZEOLITES AND POROUS MATERIALS AND THE PREPARATION METHOD THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2005-06-15 EP claimed
US-7108802-B2 Electroluminescent material containing a conjugated polymer or metal complexes inside zeolites and porous materials and the preparation method thereof CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2006-09-19 US disclosed
US-20050163992-A1 Electroluminescent material containing a conjugated polymer or earth metal complexes inside zeolites and porous materials and the preparation method thereof UNIVERSIDAD POLITECNICA DE VALENCIA (ES) 2005-07-28 US disclosed
EP-1541526-A1 ELECTROLUMINESCENT MATERIAL CONTAINING A CONJUGATED POLYMER OR EARTH METAL COMPLEXES INSIDE ZEOLITES AND POROUS MATERIALS AND THE PREPARATION METHOD THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2005-06-15 EP disclosed