SCHEMBL5262707

SCHEMBL5262707

Cc1cc(C)c(S(=O)(=O)NC(I)(Cn2ccc3cc(Br)ccc32)C(F)(F)F)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.46
NR3C2 P08235 5/20 0.46
PGR P06401 4/20 0.46
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
AR P10275 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
NTSR1 P30989 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
FGB P02675 1/20 0.36
ALDH1A1 P00352 1/20 0.34
S100A4 P26447 1/20 0.34
RECQL P46063 1/20 0.34
KRAS P01116 4/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 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
SCHEMBL4068402 0.78 NR3C1 (0.76) NR3C1NR3C2PGRMAPTGAA
SCHEMBL4439342 0.73 NR3C1 (0.39) NR3C1NR3C2PGRMAPTGAA
SCHEMBL4437812 0.72 NR3C1 (0.45) NR3C1NR3C2PGRMAPTGAA
SCHEMBL4438824 0.72 NR3C1 (0.45) NR3C1NR3C2PGRMAPTMEN1
SCHEMBL4446861 0.70 NR3C1 (0.45) NR3C1NR3C2PGRMAPTMEN1
SCHEMBL4438777 0.70 NR3C1 (0.45) NR3C1NR3C2PGRMAPTMEN1
SCHEMBL4068656 0.69 NR3C1 (0.76) NR3C1NR3C2PGRMAPTGAA
SCHEMBL5262079 0.69 NR3C1 (0.39) NR3C1NR3C2PGRMAPTAR
SCHEMBL2382637 0.68 HTR2A (0.54) ARHTR2AHTR2CNTSR1KRAS
SCHEMBL4067675 0.68 NR3C1 (0.80) NR3C1NR3C2PGRMAPTGAA

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-1836166-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-26 EP disclosed
WO-2006071609-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-06 WO disclosed