SCHEMBL10201064

SCHEMBL10201064

CNOCc1ccc(-c2ccc([C@H](c3cccc(F)c3)C(C)(C)C(=O)Nc3nncs3)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.48
PGR P06401 4/20 0.48
AR P10275 1/20 0.48

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
SCHEMBL14207525 0.92 NR3C1 (0.47) NR3C1PGRAR
SCHEMBL14207921 0.91 NR3C1 (0.46) NR3C1PGRAR
SCHEMBL764263 0.91 NR3C1 (0.46) NR3C1PGRAR
SCHEMBL14207522 0.91 NR3C1 (0.48) NR3C1PGRAR
SCHEMBL14207907 0.91 NR3C1 (0.48) NR3C1PGRAR
SCHEMBL764975 0.91 NR3C1 (0.48) NR3C1PGRAR
SCHEMBL14207927 0.89 NR3C1 (0.46) NR3C1PGRAR
SCHEMBL752578 0.88 NR3C1 (0.50) NR3C1PGRAR
SCHEMBL10332015 0.87 NR3C1 (0.54) NR3C1PGRAR
SCHEMBL10331955 0.87 NR3C1 (0.54) NR3C1PGRAR

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-2078015-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
WO-2008057859-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed