SCHEMBL4437839

SCHEMBL4437839

Cc1cc(O)c2cnn(-c3ccc(O)c(F)c3)c2c1.Oc1ccc(-n2ncc3c(O)cc(Cl)cc32)cc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.35
CYP11B1 P15538 3/20 0.35
GRM1 Q13255 4/20 0.35
CYP17A1 P05093 1/20 0.35
CYP1A2 P05177 1/20 0.35
PRKCZ Q05513 1/20 0.35
NR3C1 P04150 9/20 0.33

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
SCHEMBL2008360 0.93 NR3C1 (0.35) CYP11B2CYP11B1GRM1CYP17A1CYP1A2
SCHEMBL2003406 0.93 CYP11B1 (0.38) CYP11B2CYP11B1GRM1CYP17A1CYP1A2
SCHEMBL4447721 0.85 MAPT (0.35) CYP11B2CYP11B1GRM1CYP17A1CYP1A2
SCHEMBL2006894 0.79 NR3C1 (0.38) CYP11B2CYP11B1CYP17A1CYP1A2NR3C1
SCHEMBL2005767 0.77 ESRRA (0.36) CYP11B2CYP11B1GRM1NR3C1
SCHEMBL2004925 0.77 ESR1 (0.37) CYP11B2CYP11B1NR3C1
SCHEMBL2009185 0.77 CYP11B1 (0.39) CYP11B2CYP11B1NR3C1
SCHEMBL2006268 0.77 TRPA1 (0.35) CYP11B2CYP11B1NR3C1
SCHEMBL12572492 0.74 ESR1 (0.33) CYP11B2CYP11B1NR3C1
SCHEMBL2002221 0.74 PGR (0.40) CYP11B2NR3C1

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 claimed
WO-2008107455-A1 INDAZOLES USED TO TREAT ESTROGEN RECEPTOR BETA MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2008-09-12 WO claimed