SCHEMBL13157463

SCHEMBL13157463

O=[N+]([O-])c1ccc(Sc2cc(Cl)cc(Cl)c2)c(S(=O)(=O)N2CCSCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 2/20 0.46
CYP2C9 P11712 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
PDE7A Q13946 3/20 0.43
HTT P42858 2/20 0.43
CTDSP1 Q9GZU7 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7B Q9NP56 1/20 0.41

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
SCHEMBL19720320 0.93 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL2820157 0.89 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL13108359 0.87 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL3101531 0.87 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL13157394 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL2822158 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL2822832 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL2820214 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL3833133 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL2823151 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1

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
EP-2749554-A2 2,5-disubstituted arylsulfonamide CCR3 antagonists Axikin Pharmaceuticals, Inc. (US) 2014-07-02 EP disclosed
WO-2010123959-A2 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 WO disclosed