SCHEMBL17599331

SCHEMBL17599331

CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(-c3cccc(C(=O)O)c3)c3ccccc23)s1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.45
PIK3CA P42336 3/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
RORC P51449 2/20 0.44
RORA P35398 1/20 0.44
RORB Q92753 1/20 0.44
PFKFB3 Q16875 1/20 0.44
KEAP1 Q14145 1/20 0.43
KMT2A Q03164 2/20 0.43
CKS1B P61024 1/20 0.41
SKP2 Q13309 1/20 0.41
PFKFB4 Q16877 2/20 0.40
MCL1 Q07820 1/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
AKT1 P31749 1/20 0.38
SERPINE1 P05121 1/20 0.38

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
SCHEMBL17599343 0.88 KEAP1 (0.46) PFKFB3KEAP1KMT2APFKFB4MCL1
SCHEMBL17599390 0.87 KEAP1 (0.56) PFKFB3KEAP1KMT2APFKFB4MCL1
SCHEMBL17613382 0.79 PIK3CG (0.42) PIK3CGPIK3CAPIK3CDPIK3CBRORC
SCHEMBL2157974 0.79 NPSR1 (0.54) PIK3CGPIK3CAPIK3CDPIK3CBRORC
SCHEMBL3566136 0.78 SLC16A3 (0.57) PIK3CGPIK3CAPIK3CDPIK3CBRORC
SCHEMBL17599301 0.77 KMT2A (0.48) PFKFB3KMT2ACKS1BSKP2MCL1
SCHEMBL3552051 0.76 SLC16A3 (0.53) PIK3CGPIK3CAPIK3CDPIK3CBRORC
SCHEMBL17599388 0.76 ACLY (0.48) KMT2AMCL1
SCHEMBL3807331 0.76 PIK3CG (0.47) PIK3CGPIK3CAPIK3CDPIK3CBRORC
SCHEMBL17599312 0.75 KEAP1 (0.61) KEAP1KMT2ACKS1BSKP2MCL1

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-2998294-A1 Naphthyl sulfonamide phenyl derivatives as KEAP-1 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders SANOFI (FR) 2016-03-23 EP disclosed