SCHEMBL11961415

SCHEMBL11961415

COc1ccc(Cc2c[nH]c(NC(=O)C3(C)CC4(C#N)c5ccccc5C3c3cccnc34)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.48
PGR P06401 3/20 0.48
ESR1 P03372 1/20 0.48
AR P10275 2/20 0.37
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
GRM4 Q14833 1/20 0.31
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.30
P2RX7 Q99572 1/20 0.30
CHEK1 O14757 1/20 0.30
GSK3B P49841 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
SCHEMBL11961986 0.93 NR3C1 (0.51) NR3C1PGRESR1AR
SCHEMBL13604148 0.91 NR3C1 (0.49) NR3C1PGRESR1ARPREP
SCHEMBL13604157 0.90 NR3C1 (0.48) NR3C1PGRESR1AR
SCHEMBL11961969 0.86 NR3C1 (0.55) NR3C1PGRESR1ARPREP
SCHEMBL14196989 0.85 NR3C1 (0.55) NR3C1PGRESR1AR
SCHEMBL11961569 0.83 NR3C1 (0.35) NR3C1PGRESR1ARL3MBTL1
SCHEMBL12864651 0.82 NR3C1 (0.53) NR3C1PGRESR1ARPREP
SCHEMBL13604161 0.80 NR3C1 (0.50) NR3C1PGRESR1ARALDH1A1
SCHEMBL12864097 0.79 NR3C1 (0.52) NR3C1PGRESR1ARL3MBTL1
SCHEMBL13611419 0.79 NR3C1 (0.49) NR3C1PGRESR1ARALDH1A1

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 3 patents. 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
US-7625921-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-7625921-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed