SCHEMBL4456778

SCHEMBL4456778

CC(N)Cc1ccccc1Oc1ccc2c(cnn2-c2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.50
SMO Q99835 1/20 0.42
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPK14 Q16539 1/20 0.40
NR3C1 P04150 14/20 0.40
CYP11B1 P15538 2/20 0.38
PGR P06401 1/20 0.36

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
SCHEMBL1467789 0.86 NR3C1 (0.50) SMONR3C1PGR
SCHEMBL6281960 0.75 CYP11B2 (0.59) CYP11B2SMONR3C1CYP11B1
SCHEMBL836942 0.75 NR3C1 (0.53) CYP11B2NR3C1PGR
SCHEMBL6185201 0.73 CYP11B2 (0.59) CYP11B2SMOMAPK8MAPK9MAPK10
SCHEMBL6209189 0.71 CYP11B2 (0.53) CYP11B2SMOMAPK8MAPK9MAPK10
SCHEMBL541362 0.70 NR3C1 (0.54) SMONR3C1PGR
SCHEMBL4384679 0.69 NR3C1 (0.57) SMONR3C1PGR
SCHEMBL15839046 0.68 CYP11B2 (1.00) CYP11B2SMONR3C1CYP11B1PGR
SCHEMBL9943308 0.68 NR3C1 (0.65) SMONR3C1PGR
SCHEMBL413192 0.68 NR3C1 (0.45) CYP11B2SMONR3C1CYP11B1PGR

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-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed