SCHEMBL17610352

SCHEMBL17610352

CS(=O)(=O)N(Cc1nc2cc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(F)ccc34)ccc2o1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD2 P14416 1/20 0.34
PTPN11 Q06124 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
AKR1B1 P15121 1/20 0.33
TNFSF11 O14788 1/20 0.33
PTGDR Q13258 1/20 0.33

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
SCHEMBL17102217 0.94 HTR6 (0.41) HTR6HTR2AHTR7CA12CA1
SCHEMBL17097152 0.92 HTR6 (0.37) HTR6HTR2AHTR7CA12CA1
SCHEMBL17097149 0.90 HTR6 (0.38) HTR6HTR2AHTR7CA12CA1
SCHEMBL17096913 0.86 HTR6 (0.37) HTR6HTR2AHTR7CA12CA1
SCHEMBL17097150 0.86 GRM2 (0.41) HTR6HTR2AHTR7CA12CA1
SCHEMBL17096888 0.85 HTR6 (0.42) HTR6HTR2AHTR7CA12CA1
SCHEMBL17097130 0.85 HTR6 (0.41) HTR6HTR2AHTR7CA12CA1
SCHEMBL17102183 0.84 HTR6 (0.47) HTR6HTR2AHTR7CA12CA1
SCHEMBL17096912 0.84 HTR6 (0.38) HTR6HTR2AHTR7CA12CA1
SCHEMBL17097229 0.83 HTR6 (0.39) HTR6HTR2AHTR7CA12CA1

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-2015140717-A9 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-03-24 WO disclosed