SCHEMBL4439652

SCHEMBL4439652

COc1cc(O)c2cnn(-c3ccc(O)c(F)c3)c2c1.N#Cc1cc(O)c2cnn(-c3ccc(O)c(F)c3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
CYP11B2 P19099 4/20 0.33
CYP11B1 P15538 3/20 0.33
USP7 Q93009 2/20 0.33
GSK3B P49841 1/20 0.33
AR P10275 1/20 0.33
GRM5 P41594 1/20 0.32
USP14 P54578 1/20 0.32
NR3C1 P04150 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31

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
SCHEMBL2009185 0.90 CYP11B1 (0.39) CYP11B2CYP11B1GSK3BNR3C1ALDH1A1
SCHEMBL2002221 0.90 PGR (0.40) PGRCYP11B2ARNR3C1
SCHEMBL2006973 0.78 PGR (0.36) PGRCYP11B2CYP11B1NR3C1
SCHEMBL2006324 0.76 MAPT (0.37) ALDH1A1MAPK1NPSR1HSD17B10
SCHEMBL2003406 0.75 CYP11B1 (0.38) CYP11B2CYP11B1NR3C1ALDH1A1
SCHEMBL2006894 0.74 NR3C1 (0.38) PGRCYP11B2CYP11B1NR3C1FGFR1
SCHEMBL2005406 0.73 FFAR4 (0.38) ALDH1A1NPSR1
SCHEMBL27778418 0.73 SLC2A1 (0.42) PGRUSP7NR3C1ALDH1A1MAPK1
SCHEMBL2005767 0.72 ESRRA (0.36) PGRCYP11B2CYP11B1NR3C1FGFR1
SCHEMBL2008360 0.72 NR3C1 (0.35) PGRCYP11B2CYP11B1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118068-A1 INDAZOLES USED TO TREAT ESTROGEN RECEPTOR BETA MEDIATED DISORDERS Glaxo Group Limited (GB) 2009-11-18 EP disclosed
WO-2008107455-A1 INDAZOLES USED TO TREAT ESTROGEN RECEPTOR BETA MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2008-09-12 WO disclosed