SCHEMBL6229682

SCHEMBL6229682

COc1cccc(C2C3=Cc4ccccc4OC3OC(N)=C2C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 10/20 0.43
HIF1A Q16665 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 4/20 0.38
GAA P10253 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
MYB P10242 2/20 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
SCHEMBL6233255 0.79 TUBB4A (0.51) HSD17B10MAPK1L3MBTL1MEN1KMT2A
SCHEMBL4320562 0.71 MAPK1 (0.65) HSD17B10MAPK1ALDH1A1HIF1AL3MBTL1
SCHEMBL31237204 0.71 MAPK1 (0.65) HSD17B10MAPK1ALDH1A1HIF1AL3MBTL1
SCHEMBL4426915 0.69 HSD17B10 (0.49) HSD17B10MAPK1ALDH1A1HIF1AL3MBTL1
SCHEMBL4427840 0.69 MEN1 (0.71) HSD17B10MAPK1ALDH1A1MEN1KMT2A
SCHEMBL4426292 0.69 HSD17B10 (0.48) HSD17B10MAPK1ALDH1A1HIF1AL3MBTL1
SCHEMBL6229679 0.68 MAPK1 (0.55) HSD17B10MAPK1ALDH1A1HIF1AL3MBTL1
SCHEMBL6204978 0.68 MAPK1 (0.55) HSD17B10MAPK1ALDH1A1HIF1AL3MBTL1
SCHEMBL5959439 0.66 MEN1 (0.67) HSD17B10MAPK1ALDH1A1MEN1KMT2A
SCHEMBL4426684 0.66 MAPK1 (0.61) HSD17B10MAPK1ALDH1A1HIF1AL3MBTL1

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-1392683-A4 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-10-26 EP claimed
EP-1392683-A1 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-03-03 EP claimed
WO-2002092594-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-11-21 WO claimed
EP-1392683-A4 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-10-26 EP disclosed
EP-1392683-A1 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-03-03 EP disclosed
WO-2002092594-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-11-21 WO disclosed