SCHEMBL14467928

SCHEMBL14467928

Nc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OC3CCOC3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 2/20 0.39
HRH3 Q9Y5N1 4/20 0.37
MAP2K4 P45985 2/20 0.34
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
GRM4 Q14833 2/20 0.32
SOS1 Q07889 1/20 0.32
BRPF1 P55201 1/20 0.31
ALK Q9UM73 1/20 0.31
DUT P33316 1/20 0.31
BRD4 O60885 1/20 0.31
ACACB O00763 2/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL14467869 0.97 SGK1 (0.40) SGK1HRH3MAP2K4GRM4SOS1
SCHEMBL13052752 0.96 SGK1 (0.41) SGK1HRH3MAP2K4PIK3CAMTOR
SCHEMBL13051962 0.92 SGK1 (0.39) SGK1MAP2K4PIK3CAMTORBRPF1
SCHEMBL13051639 0.91 SGK1 (0.40) SGK1MAP2K4PIK3CAMTORBRPF1
SCHEMBL13051637 0.90 SGK1 (0.41) SGK1MAP2K4PIK3CAMTORBRPF1
SCHEMBL13051578 0.89 SGK1 (0.39) SGK1HRH3MAP2K4PIK3CAMTOR
SCHEMBL12995299 0.88 HRH3 (0.35) SGK1HRH3MAP2K4SOS1ALK
SCHEMBL13051630 0.86 HRH3 (0.34) HRH3DUTS1PR3
SCHEMBL13053255 0.86 HRH3 (0.35) HRH3
SCHEMBL13052788 0.86 SGK1 (0.38) SGK1MAP2K4PIK3CAMTORBRPF1

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
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed