SCHEMBL9913451

SCHEMBL9913451

CCCC(CNS(=O)(=O)CC)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.82
PGR P06401 2/20 0.56
AR P10275 1/20 0.51

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
SCHEMBL3586348 0.92 NR3C1 (0.83) NR3C1PGRAR
SCHEMBL3592736 0.90 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL3586154 0.86 NR3C1 (0.84) NR3C1PGRAR
SCHEMBL3588907 0.86 NR3C1 (0.88) NR3C1PGRAR
SCHEMBL3590764 0.84 NR3C1 (0.62) NR3C1PGRAR
SCHEMBL3589536 0.82 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL9913415 0.81 NR3C1 (0.84) NR3C1PGRAR
SCHEMBL3581567 0.81 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL3594195 0.81 NR3C1 (0.84) NR3C1PGRAR
SCHEMBL3600990 0.81 NR3C1 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed