SCHEMBL4448015

SCHEMBL4448015

Cc1cc(C)c(S(=O)(=O)NC(I)(COc2ccc(Br)c(C)c2)C(F)(F)F)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.41
NR3C2 P08235 4/20 0.41
PGR P06401 3/20 0.41
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TSHR P16473 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
STAT3 P40763 1/20 0.35
POLB P06746 1/20 0.34
CA1 P00915 1/20 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
SCHEMBL4438824 0.89 NR3C1 (0.45) NR3C1NR3C2PGRALDH1A1SMN1; SMN2
SCHEMBL4446861 0.86 NR3C1 (0.45) NR3C1NR3C2PGRALDH1A1SMN1; SMN2
SCHEMBL4438023 0.83 NR3C1 (0.38) NR3C1NR3C2PGRMEN1KMT2A
SCHEMBL4448878 0.83 NR3C1 (0.43) NR3C1NR3C2PGRALDH1A1MEN1
SCHEMBL4439311 0.83 NR3C1 (0.43) NR3C1NR3C2PGRSMN1; SMN2MEN1
SCHEMBL4441148 0.82 NR3C1 (0.45) NR3C1NR3C2PGRALDH1A1SMN1; SMN2
SCHEMBL4439342 0.80 NR3C1 (0.39) NR3C1NR3C2PGRALDH1A1SMN1; SMN2
SCHEMBL4446665 0.80 NR3C2 (0.46) NR3C1NR3C2PGRSMN1; SMN2MEN1
SCHEMBL4446867 0.80 PGR (0.39) NR3C1NR3C2PGR
SCHEMBL4440438 0.80 NR3C1 (0.41) NR3C1NR3C2PGRALDH1A1MEN1

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