SCHEMBL6209451

SCHEMBL6209451

CCOC1=C(N)OC2C3=CC(C(=O)O)=NC3=CC=C2C1c1cc(Br)c(OC)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
POLB P06746 3/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4553373 0.75 GAA (0.38) POLBGAAALDH1A1HPGDMAPK1
SCHEMBL7539189 0.73 TUBB4A (0.44) POLBGAAMAPK1SMN1; SMN2HSD17B10
SCHEMBL5959444 0.73 ALDH1A1 (0.38) POLBGAAALDH1A1HPGDMAPK1
SCHEMBL27604995 0.72 HPGD (0.37) POLBGAAALDH1A1HPGDMAPK1
SCHEMBL4330028 0.71 TUBB4A (0.45) POLBGAAALDH1A1HPGDMAPK1
SCHEMBL4322216 0.67 TUBB4A (0.47) GAAMAPK1SMN1; SMN2TSHRHSD17B10
SCHEMBL6642358 0.63 TUBB4A (0.44) GAAALDH1A1MAPK1SMN1; SMN2TSHR
SCHEMBL4318990 0.61 TUBB4A (0.37) POLBGAAALDH1A1HPGDMAPK1
SCHEMBL6642381 0.60 TUBB4A (0.45) GAAALDH1A1MAPK1SMN1; SMN2TSHR
SCHEMBL4542953 0.60 MEN1 (0.52) GAAALDH1A1MAPK1TSHRHSD17B10

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-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