SCHEMBL1629565

SCHEMBL1629565

CC[C@@H](C)n1cc(-c2ccc(C#N)c(OC)c2)c2ccc(NS(C)(=O)=O)cc21

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.84
NR3C1 P04150 7/20 0.84
NR3C2 P08235 7/20 0.84
AR P10275 7/20 0.84
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
SCN9A Q15858 2/20 0.37
SCN5A Q14524 1/20 0.37
BRD4 O60885 2/20 0.37
IMPDH2 P12268 2/20 0.36
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL14116609 1.00 PGR (0.84) PGRNR3C1NR3C2ARHSP90AA1
SCHEMBL1629568 1.00 PGR (0.84) PGRNR3C1NR3C2ARHSP90AA1
SCHEMBL1631200 0.92 PGR (1.00) PGRNR3C1NR3C2ARHSP90AA1
SCHEMBL1630450 0.88 PGR (0.82) PGRNR3C1NR3C2ARSCN9A
SCHEMBL1630397 0.88 PGR (0.75) PGRNR3C1NR3C2ARSCN9A
SCHEMBL1630750 0.88 PGR (0.82) PGRNR3C1NR3C2ARSCN9A
SCHEMBL1630399 0.88 PGR (0.75) PGRNR3C1NR3C2ARSCN9A
SCHEMBL1630401 0.88 PGR (0.75) PGRNR3C1NR3C2ARSCN9A
SCHEMBL1630606 0.85 PGR (1.00) PGRNR3C1NR3C2ARBRD4
SCHEMBL1629269 0.85 PGR (1.00) PGRNR3C1NR3C2ARBRD4

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-1979314-B1 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS LILLY CO ELI (US) 2013-01-09 EP disclosed
US-7932284-B2 Indole sulfonamide modulators of progesterone receptors ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed