SCHEMBL12864136

SCHEMBL12864136

CC1(C(=O)Nc2nc(Cc3ccc(C(=O)O)cc3)cs2)CC2(C#N)c3ccccc3C1c1ccccc12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.60
PGR P06401 4/20 0.60
ESR1 P03372 2/20 0.60
AR P10275 3/20 0.44
AOC3 Q16853 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SCD O00767 1/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 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
SCHEMBL14196983 0.95 NR3C1 (0.64) NR3C1PGRESR1ARAOC3
SCHEMBL12864308 0.93 NR3C1 (0.59) NR3C1PGRESR1ARAOC3
SCHEMBL12864138 0.93 NR3C1 (0.59) NR3C1PGRESR1ARAOC3
SCHEMBL12864644 0.92 NR3C1 (0.61) NR3C1PGRESR1ARAOC3
SCHEMBL12864653 0.92 NR3C1 (0.59) NR3C1PGRESR1ARAOC3
SCHEMBL12864295 0.92 NR3C1 (0.59) NR3C1PGRESR1ARAOC3
SCHEMBL12864339 0.92 NR3C1 (0.62) NR3C1PGRESR1ARAOC3
SCHEMBL14197060 0.92 NR3C1 (0.62) NR3C1PGRESR1ARAOC3
SCHEMBL12864129 0.91 NR3C1 (0.61) NR3C1PGRESR1ARAOC3
SCHEMBL12864144 0.91 NR3C1 (0.61) NR3C1PGRESR1ARAOC3

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-1896434-B1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFkB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
US-7361654-B2 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-04-22 US disclosed