SCHEMBL9517004

SCHEMBL9517004

Cc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
FFAR4 Q5NUL3 2/20 0.56
SLC22A12 Q96S37 1/20 0.53
HDAC1 Q13547 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
RORC P51449 1/20 0.51
GPR119 Q8TDV5 1/20 0.50
NPY5R Q15761 1/20 0.49

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
SCHEMBL9517066 0.85 SLC22A12 (0.54) SLC22A12SMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL9519315 0.83 KEAP1 (0.63) FFAR4SMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL9517269 0.82 SLC22A12 (0.60) FFAR4SLC22A12HDAC1HDAC8HDAC3
SCHEMBL6756075 0.82 FFAR4 (0.68) TP53FFAR4HDAC1HDAC8HDAC3
SCHEMBL14601690 0.82 FFAR4 (0.68) TP53FFAR4HDAC1HDAC8HDAC3
SCHEMBL9519540 0.82 MEN1 (0.63) FFAR4SLC22A12SMN1; SMN2ALDH1A1MAPK1
SCHEMBL9519180 0.81 HDAC1 (0.52) TP53FFAR4HDAC1HDAC8HDAC3
SCHEMBL7570513 0.80 FFAR4 (0.64) TP53FFAR4HDAC1HDAC8HDAC3
SCHEMBL26530291 0.79 GAA (0.68) TP53FFAR4HDAC1HDAC8HDAC3
SCHEMBL95648 0.79 FFAR4 (0.60) TP53FFAR4HDAC1HDAC8HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1079466-A 4-or 5-(sulphur) acylimino-and (inferior sulphur) amidopyridine and pyridine-N-oxide thereof HOECHST AG (DE) 1993-12-15 CN disclosed
EP-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed