SCHEMBL9517896

SCHEMBL9517896

O=S(=O)(Nc1ccc(CO)nc1)c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.46
LMNA P02545 5/20 0.44
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C9 P11712 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
SLC22A11 Q9NSA0 1/20 0.42

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
SCHEMBL9519180 0.87 HDAC1 (0.52) MAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL9517953 0.85 TRPV1 (0.51) ARLMNACACNA1HCACNA1BKMT2A
SCHEMBL9517066 0.83 SLC22A12 (0.54) ARLMNACACNA1HCACNA1BKMT2A
SCHEMBL9518021 0.83 LMNA (0.56) LMNAMAPTMAPK1SMN1; SMN2HTT
SCHEMBL9422522 0.82 MEN1 (0.55) ARLMNAKMT2AMEN1MAPT
SCHEMBL9515597 0.81 P4HTM (0.48) KMT2AMEN1CYP2C9SMN1; SMN2CYP1A2
SCHEMBL8869973 0.80 CYP1A2 (0.46) ARLMNAKMT2AMEN1CYP2C9
SCHEMBL9517930 0.79 PSEN1 (0.54) ARKMT2ACYP2C9CYP3A4CYP2D6
SCHEMBL8868341 0.79 CYP1A2 (0.45) ARLMNACACNA1HCACNA1BKMT2A
SCHEMBL9519183 0.78 CES1 (0.58) ARKMT2AMEN1MAPTHTT

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-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