SCHEMBL1631908

SCHEMBL1631908

Cn1cc(-c2ccc(C#N)cc2)c2ccc(NS(=O)(=O)C3CC3)cc21

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.74
NR3C1 P04150 6/20 0.57
NR3C2 P08235 6/20 0.57
AR P10275 5/20 0.57
SCN9A Q15858 6/20 0.49
SCN5A Q14524 4/20 0.48
IMPDH2 P12268 2/20 0.44
BRPF1 P55201 1/20 0.42
KDM1A O60341 1/20 0.41
ALDH2 P05091 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
HTR6 P50406 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL1629244 0.85 PGR (1.00) PGRNR3C1NR3C2ARSCN9A
SCHEMBL1631165 0.83 PGR (0.78) PGRNR3C1NR3C2ARSCN9A
SCHEMBL1631937 0.81 PGR (0.71) PGRNR3C1NR3C2ARKDM1A
SCHEMBL3380147 0.78 PGR (0.44) PGRNR3C1NR3C2ARBRPF1
SCHEMBL1630484 0.78 PGR (0.69) PGRNR3C1NR3C2ARSCN9A
SCHEMBL1630849 0.75 PGR (0.69) PGRNR3C1NR3C2ARKDM1A
SCHEMBL1630685 0.75 PGR (0.65) PGRNR3C1NR3C2ARKDM1A
SCHEMBL1632336 0.74 PGR (0.76) PGRNR3C1NR3C2ARKDM1A
SCHEMBL1630550 0.74 PGR (0.78) PGRNR3C1NR3C2ARSCN9A
SCHEMBL1631503 0.73 PGR (0.78) PGRNR3C1NR3C2ARBRPF1

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-7932284-B2 Indole sulfonamide modulators of progesterone receptors ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed