SCHEMBL13604147

SCHEMBL13604147

CC1(C(=O)Nc2nc(Cc3ccccc3)cs2)CC2(C#N)c3ccccc3C1c1cccnc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.59
PGR P06401 4/20 0.59
ESR1 P03372 2/20 0.59
AR P10275 3/20 0.46
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
AOC3 Q16853 1/20 0.34

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
SCHEMBL11961969 0.93 NR3C1 (0.55) NR3C1PGRESR1ARHTT
SCHEMBL14196983 0.92 NR3C1 (0.64) NR3C1PGRESR1ARHTT
SCHEMBL14197060 0.89 NR3C1 (0.62) NR3C1PGRESR1ARAOC3
SCHEMBL12864644 0.88 NR3C1 (0.61) NR3C1PGRESR1ARHTT
SCHEMBL12864136 0.87 NR3C1 (0.60) NR3C1PGRESR1ARHTT
SCHEMBL12864339 0.87 NR3C1 (0.62) NR3C1PGRESR1ARHTT
SCHEMBL12863999 0.86 NR3C1 (0.62) NR3C1PGRESR1ARMEN1
SCHEMBL12864129 0.86 NR3C1 (0.61) NR3C1PGRESR1ARHTT
SCHEMBL12864144 0.86 NR3C1 (0.61) NR3C1PGRESR1ARHTT
SCHEMBL12864479 0.86 NR3C1 (0.61) NR3C1PGRESR1ARHTT

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-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