SCHEMBL14471985

SCHEMBL14471985

CC(C)[C@@H](C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.84
NR3C1 P04150 7/20 0.84
NR3C2 P08235 7/20 0.84
AR P10275 6/20 0.78
SLC22A12 Q96S37 1/20 0.41
TNIK Q9UKE5 1/20 0.40
BRD4 O60885 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
DRD3 P35462 1/20 0.39
HTR6 P50406 1/20 0.39
ALDH2 P05091 2/20 0.38
KAT2B Q92831 1/20 0.37
BRD1 O95696 1/20 0.36
BRPF1 P55201 1/20 0.36
BRPF3 Q9ULD4 1/20 0.36

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
SCHEMBL14471984 1.00 PGR (0.84) PGRNR3C1NR3C2ARSLC22A12
SCHEMBL14472021 1.00 PGR (0.84) PGRNR3C1NR3C2ARSLC22A12
SCHEMBL1632037 0.91 PGR (1.00) PGRNR3C1NR3C2ARSLC22A12
SCHEMBL1630606 0.88 PGR (1.00) PGRNR3C1NR3C2ARSLC22A12
SCHEMBL1629269 0.88 PGR (1.00) PGRNR3C1NR3C2ARSLC22A12
SCHEMBL1631024 0.86 PGR (0.83) PGRNR3C1NR3C2ARSLC22A12
SCHEMBL1629307 0.86 PGR (0.63) PGRNR3C1NR3C2ARBRD4
SCHEMBL1630848 0.86 PGR (0.63) PGRNR3C1NR3C2ARBRD4
SCHEMBL1630847 0.86 PGR (0.63) PGRNR3C1NR3C2ARBRD4
SCHEMBL1631503 0.86 PGR (0.78) PGRNR3C1NR3C2ARSLC22A12

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
EP-1979314-B1 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS LILLY CO ELI (US) 2013-01-09 EP disclosed