SCHEMBL9517066

SCHEMBL9517066

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.54
LMNA P02545 5/20 0.51
ALOX12 P18054 1/20 0.49
HTT P42858 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AR P10275 3/20 0.48
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.47
CACNA1H O95180 1/20 0.47
CACNA1B Q00975 1/20 0.47
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 1/20 0.45

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
SCHEMBL9517004 0.85 TP53 (0.57) SLC22A12ALOX12SMN1; SMN2MAPTKMT2A
SCHEMBL9517896 0.83 AR (0.46) SLC22A12LMNAHTTCYP1A2CYP3A4
SCHEMBL9517269 0.83 SLC22A12 (0.60) SLC22A12ALOX12HTTCYP2D6CYP2C9
SCHEMBL9519315 0.81 KEAP1 (0.63) LMNAALOX12HTTTSHRSMN1; SMN2
SCHEMBL9519540 0.80 MEN1 (0.63) SLC22A12LMNAALOX12HTTCYP3A4
SCHEMBL13898348 0.79 AR (0.64) LMNAHTTSMN1; SMN2ARMAPT
SCHEMBL8869556 0.78 POLB (0.45) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8869973 0.78 CYP1A2 (0.46) LMNAHTTCYP1A2CYP3A4CYP2D6
SCHEMBL8867662 0.78 SCN9A (0.48) LMNAHTTCYP1A2CYP3A4CYP2D6
SCHEMBL8868611 0.77 EGLN1 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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