SCHEMBL14086071

SCHEMBL14086071

COC(=O)c1c[nH]c(NC(=O)C2(C)CC3(C#N)c4ccccc4C2c2ccccc23)n1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.57
PGR P06401 4/20 0.57
ESR1 P03372 2/20 0.57
AR P10275 3/20 0.41
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31

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
SCHEMBL14086075 0.91 NR3C1 (0.54) NR3C1PGRESR1ARMEN1
SCHEMBL14111302 0.84 NR3C1 (0.41) NR3C1PGRESR1ARMEN1
SCHEMBL14086067 0.82 NR3C1 (0.66) NR3C1PGRESR1ARALDH1A1
SCHEMBL14086083 0.82 NR3C1 (0.58) NR3C1PGRESR1ARMAPT
SCHEMBL14196989 0.81 NR3C1 (0.55) NR3C1PGRESR1AR
SCHEMBL12864651 0.77 NR3C1 (0.53) NR3C1PGRESR1AR
SCHEMBL12305202 0.77 NR3C1 (0.59) NR3C1PGRESR1AR
SCHEMBL14111309 0.75 NR3C1 (0.39) NR3C1PGRESR1ARMEN1
SCHEMBL11961415 0.75 NR3C1 (0.48) NR3C1PGRESR1ARMAPT
SCHEMBL12306769 0.75 NR3C1 (0.56) NR3C1PGRESR1ARMAPT

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
US-7411071-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-12 US disclosed
US-7411071-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-12 US disclosed