SCHEMBL4441125

SCHEMBL4441125

Cc1cc(C)c(S(=O)(=O)NC(I)(COc2ccccc2C#N)C(F)(F)F)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 11/20 0.44
NR3C1 P04150 10/20 0.44
PGR P06401 9/20 0.44
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FFAR1 O14842 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
SCHEMBL4439311 0.85 NR3C1 (0.43) NR3C2NR3C1PGRCYP1A2CYP3A4
SCHEMBL4448878 0.83 NR3C1 (0.43) NR3C2NR3C1PGRCYP1A2CYP3A4
SCHEMBL4446665 0.82 NR3C2 (0.46) NR3C2NR3C1PGRCYP1A2CYP3A4
SCHEMBL4440438 0.82 NR3C1 (0.41) NR3C2NR3C1PGRCYP1A2CYP3A4
SCHEMBL4439332 0.82 NR3C1 (0.43) NR3C2NR3C1PGRCYP1A2CYP3A4
SCHEMBL4446867 0.82 PGR (0.39) NR3C2NR3C1PGR
SCHEMBL4442284 0.81 MEN1 (0.40) NR3C2NR3C1PGRCYP1A2CYP3A4
SCHEMBL4438774 0.80 NR3C1 (0.52) NR3C2NR3C1PGRCYP1A2CYP3A4
SCHEMBL4438023 0.79 NR3C1 (0.38) NR3C2NR3C1PGRCYP1A2CYP3A4
SCHEMBL4439342 0.79 NR3C1 (0.39) NR3C2NR3C1PGRCYP1A2CYP3A4

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-2136811-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2009-12-30 EP disclosed
WO-2008124745-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 WO disclosed