SCHEMBL6470836

SCHEMBL6470836

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
CA2 P00918 3/20 0.53
MMP2 P08253 2/20 0.53
CA1 P00915 1/20 0.53
MMP1 P03956 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
CYP19A1 P11511 1/20 0.51
ALOX5 P09917 1/20 0.50
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6468938 0.90 KMT2A (0.58) KMT2AMEN1CA2MMP2CA1
SCHEMBL6025519 0.82 KMT2A (0.49) KMT2AMEN1CA2MMP2CA1
SCHEMBL6533316 0.79 KMT2A (0.49) KMT2AMEN1CA2MMP2CA1
SCHEMBL6026285 0.78 KMT2A (0.47) KMT2AMEN1CA2MMP2CA1
SCHEMBL6531285 0.77 KMT2A (0.46) KMT2AMEN1CA2MMP2CA1
SCHEMBL1701616 0.77 CA2 (0.67) KMT2AMEN1CA2MMP2CA1
SCHEMBL2034554 0.76 KMT2A (0.78) KMT2AMEN1CA2MMP2CA1
SCHEMBL922441 0.76 KMT2A (0.77) KMT2AMEN1CA2MMP2CA1
SCHEMBL17526270 0.76 CA2 (0.66) KMT2AMEN1CA2MMP2CA1
SCHEMBL7681888 0.75 KMT2A (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed