SCHEMBL11961569

SCHEMBL11961569

COc1ccc(Cc2c[nH]c(NC(=O)C3(C)CC45c6cccnc6C4(C#N)c4ccccc4C35)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.35
PGR P06401 2/20 0.35
ESR1 P03372 1/20 0.35
AR P10275 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11961415 0.83 NR3C1 (0.48) NR3C1PGRESR1ARL3MBTL1
SCHEMBL11961986 0.78 NR3C1 (0.51) NR3C1PGRESR1AR
SCHEMBL11960998 0.76 NR3C1 (0.34) NR3C1PGRESR1AR
SCHEMBL13604148 0.74 NR3C1 (0.49) NR3C1PGRESR1AR
SCHEMBL14196989 0.74 NR3C1 (0.55) NR3C1PGRESR1AR
SCHEMBL13604157 0.73 NR3C1 (0.48) NR3C1PGRESR1AR
SCHEMBL12864097 0.73 NR3C1 (0.52) NR3C1PGRESR1ARL3MBTL1
SCHEMBL11961969 0.70 NR3C1 (0.55) NR3C1PGRESR1AR
SCHEMBL12864651 0.70 NR3C1 (0.53) NR3C1PGRESR1AR
SCHEMBL13674605 0.70 NR3C1 (0.39) NR3C1PGRARL3MBTL1

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
EP-1708701-B1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-08-01 EP disclosed