SCHEMBL14214847

SCHEMBL14214847

Cc1ccc(C(CC(C)C)C(C)(C)C(=O)Nc2nncs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.58
PGR P06401 3/20 0.51
POLB P06746 1/20 0.50
AR P10275 2/20 0.48
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
FFAR2 O15552 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2899060 0.90 NR3C1 (0.57) NR3C1PGRARFFAR2KDM4E
SCHEMBL2899518 0.88 NR3C1 (0.62) NR3C1PGRARFFAR2
SCHEMBL2901819 0.88 NR3C1 (0.59) NR3C1PGRAR
SCHEMBL2898787 0.88 NR3C1 (0.59) NR3C1PGRAR
SCHEMBL2901081 0.87 NR3C1 (0.55) NR3C1PGRARFFAR2KDM4E
SCHEMBL2893413 0.86 NR3C1 (0.54) NR3C1PGRARMAPTNPC1
SCHEMBL2893963 0.86 NR3C1 (0.54) NR3C1PGRPOLBARFFAR2
SCHEMBL2900926 0.86 NR3C1 (0.54) NR3C1PGRARFFAR2
SCHEMBL2901362 0.86 NR3C1 (0.54) NR3C1PGRAR
SCHEMBL2898906 0.86 NR3C1 (0.54) NR3C1PGRARFFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008057862-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed