SCHEMBL3640675

SCHEMBL3640675

CC(C)C(Cn1cc(C#N)c2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.78
NR3C2 P08235 9/20 0.78
PGR P06401 6/20 0.78
CYP3A4 P08684 3/20 0.78
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCR10 P46092 1/20 0.41
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
STAT3 P40763 1/20 0.38
MAPT P10636 2/20 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
SCHEMBL3774636 1.00 NR3C1 (0.78) NR3C1NR3C2PGRCYP3A4ALDH1A1
SCHEMBL3766824 0.88 NR3C1 (1.00) NR3C1NR3C2PGRCYP3A4ALDH1A1
SCHEMBL3647266 0.87 NR3C1 (0.76) NR3C1NR3C2PGRCYP3A4CCR10
SCHEMBL3642644 0.87 NR3C1 (0.76) NR3C1NR3C2PGRCYP3A4CCR10
SCHEMBL3779016 0.85 NR3C2 (0.66) NR3C1NR3C2PGRCYP3A4ALDH1A1
SCHEMBL3642260 0.85 NR3C2 (0.66) NR3C1NR3C2PGRCYP3A4ALDH1A1
SCHEMBL3638434 0.79 NR3C1 (0.75) NR3C1NR3C2PGRCYP3A4ALDH1A1
SCHEMBL13810701 0.76 NR3C1 (0.57) NR3C1NR3C2PGRCYP3A4CCR10
SCHEMBL3646763 0.75 NR3C1 (0.68) NR3C1NR3C2PGRCYP3A4SMN1; SMN2
SCHEMBL3641101 0.75 NR3C1 (0.68) NR3C1NR3C2PGRCYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183217-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-05-12 EP claimed
WO-2009015067-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 WO claimed
EP-2183217-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-05-12 EP disclosed
WO-2009015067-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 WO disclosed