SCHEMBL5204050

SCHEMBL5204050

Cc1cc(Cc2cnc[nH]2)c(C)c(NS(C)(=O)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.42
ADRA2A P08913 1/20 0.42
HRH3 Q9Y5N1 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
NR3C1 P04150 1/20 0.39
ADRA1D P25100 3/20 0.38
PTGS1 P23219 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
QPCT Q16769 1/20 0.36
QPCTL Q9NXS2 1/20 0.36

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
Oxalic Acid SCHEMBL5200567 0.94 ADRA1A (0.38) ADRA1AADRA2AHRH3MEN1ALDH1A1
SCHEMBL5201429 0.82 ADRA1A (0.48) ADRA1AADRA2AHRH3MEN1ALDH1A1
SCHEMBL5206471 0.75 ADRA2A (0.54) ADRA1AADRA2AHRH3MEN1ALDH1A1
SCHEMBL5200584 0.74 ADRA2A (0.32) ADRA1AADRA2A
SCHEMBL7101637 0.74 NR3C1 (0.39) NR3C1PTGS1
SCHEMBL5203578 0.74 ADRA1A (0.53) ADRA1AADRA2AHRH3MAPTHRH4
SCHEMBL5200544 0.71 ADRA1A (0.48) ADRA1AADRA2AHRH3NR3C1ADRA1D
Hydrochloric Acid SCHEMBL5201568 0.70 ADRA1A (0.47) ADRA1AADRA2AHRH3MAPTNR3C1
SCHEMBL17922097 0.65 HRH3 (0.61) HRH3MEN1ALDH1A1MAPTKMT2A
SCHEMBL7100325 0.65 NR3C1 (0.37) NR3C1

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-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed