SCHEMBL6025519

SCHEMBL6025519

CCCC(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Sc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
CA2 P00918 2/20 0.47
MMP2 P08253 2/20 0.47
CA1 P00915 1/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
CYP19A1 P11511 1/20 0.46
ALOX5 P09917 1/20 0.45
GAA P10253 2/20 0.45
PGR P06401 1/20 0.44
DDX3X O00571 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
AR P10275 1/20 0.43
HTT P42858 1/20 0.43
EDNRA P25101 1/20 0.43

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
SCHEMBL6026285 0.94 KMT2A (0.47) KMT2AMEN1CA2MMP2CA1
SCHEMBL6531285 0.93 KMT2A (0.46) KMT2AMEN1CA2MMP2CA1
SCHEMBL6532198 0.89 ALDH1A1 (0.46) KMT2AMEN1CA2MMP2CA1
SCHEMBL6470836 0.82 KMT2A (0.56) KMT2AMEN1CA2MMP2CA1
SCHEMBL6468172 0.80 KMT2A (0.48) KMT2AMEN1CA2MMP2CA1
SCHEMBL6026237 0.79 CA1 (0.46) KMT2AMEN1CA2MMP2CA1
SCHEMBL6533316 0.78 KMT2A (0.49) KMT2AMEN1CA2MMP2CA1
SCHEMBL6025782 0.77 GBA1 (0.42) KMT2AGAAL3MBTL1HTTLMNA
SCHEMBL6468938 0.77 KMT2A (0.58) KMT2AMEN1CA2MMP2CA1
SCHEMBL2474108 0.76 BCL2L1 (0.55) KMT2AMEN1CA2MMP2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685119-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2006-08-02 EP disclosed
WO-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed
WO-2005049594-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed