SCHEMBL4439342

SCHEMBL4439342

Cc1cc(C)c(S(=O)(=O)NC(I)(COc2ccc(Br)cc2C)C(F)(F)F)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.39
PGR P06401 3/20 0.39
NR3C2 P08235 3/20 0.39
AAK1 Q2M2I8 2/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
SSTR4 P31391 1/20 0.37
RAB9A P51151 1/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4440438 0.91 NR3C1 (0.41) NR3C1PGRNR3C2ALDH1A1KMT2A
SCHEMBL4438824 0.87 NR3C1 (0.45) NR3C1PGRNR3C2ALDH1A1KMT2A
SCHEMBL4439311 0.85 NR3C1 (0.43) NR3C1PGRNR3C2KMT2ACYP1A2
SCHEMBL4440757 0.85 NR3C1 (0.39) NR3C1PGRNR3C2ALDH1A1RAB9A
SCHEMBL4446861 0.84 NR3C1 (0.45) NR3C1PGRNR3C2ALDH1A1KMT2A
SCHEMBL4438023 0.83 NR3C1 (0.38) NR3C1PGRNR3C2KMT2ACYP1A2
SCHEMBL4437187 0.83 MEN1 (0.40) NR3C1PGRNR3C2ALDH1A1KMT2A
SCHEMBL4436562 0.80 NR3C1 (0.39) NR3C1PGRNR3C2ALDH1A1POLB
SCHEMBL4442284 0.80 MEN1 (0.40) NR3C1PGRNR3C2KMT2ACYP1A2
SCHEMBL4448015 0.80 NR3C1 (0.41) NR3C1PGRNR3C2ALDH1A1POLB

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