SCHEMBL7388562

SCHEMBL7388562

NC(=O)c1ccccc1NS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
GAA P10253 2/20 0.69
SLC40A1 Q9NP59 9/20 0.64
MMP2 P08253 1/20 0.62
TDP1 Q9NUW8 2/20 0.62
NFKBIA P25963 1/20 0.62
RELA Q04206 1/20 0.62
KCNA5 P22460 1/20 0.61
ALDH1A1 P00352 3/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PARP1 P09874 1/20 0.57
SLC16A3 O15427 1/20 0.56

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
SCHEMBL5072751 0.89 MEN1 (0.71) MEN1KMT2AGAASLC40A1MMP2
SCHEMBL5074828 0.88 MEN1 (0.70) MEN1KMT2AGAASLC40A1MMP2
SCHEMBL1891388 0.85 L3MBTL1 (0.54) MEN1KMT2AGAASLC40A1TDP1
SCHEMBL8337625 0.85 MEN1 (0.62) MEN1KMT2AGAASLC40A1MMP2
SCHEMBL30854809 0.82 SLC40A1 (0.76) MEN1KMT2AGAASLC40A1MMP2
SCHEMBL1507919 0.82 SLC40A1 (0.76) MEN1KMT2AGAASLC40A1MMP2
SCHEMBL7896798 0.82 SLC40A1 (0.80) MEN1KMT2AGAASLC40A1MMP2
SCHEMBL3780950 0.82 GAA (0.76) MEN1KMT2AGAASLC40A1MMP2
SCHEMBL7571584 0.82 SLC40A1 (0.66) MEN1KMT2AGAASLC40A1MMP2
SCHEMBL30925457 0.81 SLC40A1 (0.59) MEN1KMT2ASLC40A1TDP1NFKBIA

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-1073632-A1 SUBSTITUTED BENZAMIDES, THEIR PRODUCTION AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-07 EP disclosed
WO-1999054293-A1 SUBSTITUTED BENZAMIDES, THEIR PRODUCTION AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-10-28 WO disclosed