SCHEMBL2579629

SCHEMBL2579629

Cc1cc(N)cc(-c2ccc(C#N)c(C#N)n2)c1.Cc1ccc(-c2cnco2)cc1NS(=O)(=O)c1cnccc1C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 4/20 0.33
KCNJ1 P48048 1/20 0.33
AAK1 Q2M2I8 4/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 2/20 0.31
MAPT P10636 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
MAP4K4 O95819 1/20 0.30

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
SCHEMBL2117332 0.79 KCNJ1 (0.44) KCNJ1PIK3CDPIK3CBMTORPIK3CG
SCHEMBL3467686 0.71 KDM4E (0.38) ALDH1A1MAPT
SCHEMBL2117741 0.68 SLC22A12 (0.49) SGK1
SCHEMBL2119426 0.68 SGK1 (0.45) SGK1MTORALDH1A1TP53
SCHEMBL2120149 0.68 TRIM24 (0.48) MTORALDH1A1TP53MAPT
SCHEMBL2121436 0.67 POLB (0.51) PIK3CDPIK3CBMTORPIK3CGALDH1A1
SCHEMBL2118346 0.67 MAPT (0.40) TP53MAPT
SCHEMBL2117129 0.63 LMNA (0.47) KCNJ1PIK3CDPIK3CBMTORPIK3CG
SCHEMBL2119625 0.63 SGK1 (0.41) SGK1ALDH1A1TP53
SCHEMBL2120158 0.62 TP53 (0.40) SGK1TP53MAPT

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-2382190-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS-INHIBITORS European Molecular Biology Laboratory (EMBL) (DE) 2011-11-02 EP disclosed