SCHEMBL6533313

SCHEMBL6533313

CCCC(C)(Nc1c([N+](=O)[O-])cccc1S(N)(=O)=O)S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
PKM P14618 3/20 0.41
CYP19A1 P11511 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
CA9 Q16790 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
THRB P10828 1/20 0.36
POLB P06746 2/20 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
SCHEMBL6026281 0.80 KMT2A (0.42) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL6531283 0.76 KMT2A (0.41) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL6025517 0.75 KMT2A (0.44) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL6530524 0.75 KMT2A (0.41) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL6525575 0.73 KMT2A (0.47) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL1701615 0.71 KMT2A (0.47) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL6820933 0.68 ALDH1A1 (0.61) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL6533327 0.68 MAPT (0.44) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL25169485 0.68 KMT2A (0.41) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL29889311 0.68 KMT2A (0.68) KMT2AMEN1MAPTALDH1A1CA2

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