SCHEMBL6229679

SCHEMBL6229679

COc1cccc(C2C(C#N)=C(N)OC3=C2Cc2ccccc2O3)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 10/20 0.52
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
MAPT P10636 7/20 0.52
KDM4E B2RXH2 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
THRB P10828 1/20 0.52
HIF1A Q16665 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 4/20 0.43
TSHR P16473 3/20 0.41
CASP1 P29466 2/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MYB P10242 2/20 0.41
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL6233252 0.80 TUBB4A (0.57) MAPK1HSD17B10MEN1KMT2AMAPT
SCHEMBL8549111 0.78 ALDH1A1 (0.72) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL31237204 0.74 MAPK1 (0.65) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL4320562 0.74 MAPK1 (0.65) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL4427840 0.73 MEN1 (0.71) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL31237623 0.72 MEN1 (0.78) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL30628020 0.72 MEN1 (0.73) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL4326115 0.72 MEN1 (0.73) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL21993266 0.71 ALDH1A1 (0.44) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL4426708 0.70 ALDH1A1 (0.57) MAPK1HSD17B10ALDH1A1MEN1KMT2A

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