SCHEMBL3665193

SCHEMBL3665193

Oc1ccc2nc(Oc3ccc4cc(O)ccc4n3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.53
ESR1 P03372 4/20 0.53
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.41
HSD17B14 Q9BPX1 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PFKFB3 Q16875 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MEN1 O00255 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL3316262 0.86 ALDH1A1 (0.61) ESR2ESR1ALDH1A1HSD17B10KDM4E
SCHEMBL2093017 0.84 ESR2 (0.44) ESR2ESR1ALDH1A1HSD17B10KDM4E
SCHEMBL1238150 0.84 ESR1 (0.50) ESR2ESR1ALDH1A1HSD17B10KDM4E
SCHEMBL29768705 0.84 ESR1 (0.50) ESR2ESR1ALDH1A1HSD17B10KDM4E
SCHEMBL3317035 0.83 HTT (0.45) ESR2ESR1ALDH1A1HSD17B10KDM4E
SCHEMBL2097582 0.82 ESR1 (0.41) ESR2ESR1ALDH1A1HSD17B10KDM4E
SCHEMBL2092811 0.82 KDM4E (0.50) ESR2ESR1ALDH1A1HSD17B10KDM4E
SCHEMBL3318792 0.82 CAMK2A (0.42) ESR2ESR1ALDH1A1HSD17B10KDM4E
SCHEMBL3314874 0.81 KMT2A (0.44) ESR2ESR1ALDH1A1HSD17B10KDM4E
SCHEMBL21865479 0.80 ESR2 (0.46) ESR2ESR1ALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144880-B1 BIS(HYDROXYQUINOLINE) METAL COMPLEXES AS BLEACH CATALYSTS HENKEL AG & CO KGAA (DE) 2012-05-30 EP disclosed
EP-2144880-A1 BIS(HYDROXYQUINOLINE) METAL COMPLEXES AS BLEACH CATALYSTS Henkel AG & Co. KGaA (DE) 2010-01-20 EP disclosed
WO-2008135337-A1 BIS(HYDROXYQUINOLINE) METAL COMPLEXES AS BLEACH CATALYSTS HENKEL AG & CO. KGAA (DE) 2008-11-13 WO disclosed