SCHEMBL5034666

SCHEMBL5034666

O=C(NO)[C@@H](CCCN1C(=O)c2ccccc2S1(=O)=O)NS(=O)(=O)c1ccc(Oc2ccc(-n3ccnc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.45
MMP9 P14780 5/20 0.45
MMP13 P45452 3/20 0.45
MMP3 P08254 2/20 0.45
MMP1 P03956 4/20 0.43
MMP14 P50281 3/20 0.43
ADAM17 P78536 3/20 0.43
ADAM10 O14672 1/20 0.42
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
ALDH1A1 P00352 1/20 0.37
PORCN Q9H237 2/20 0.37
BMP1 P13497 5/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MMP7 P09237 1/20 0.35

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
SCHEMBL1381142 0.93 MMP2 (0.41) MMP2MMP9MMP13MMP3HDAC1
Hydroxyamine SCHEMBL1380759 0.92 MMP2 (0.40) MMP2MMP9MMP13MMP3HDAC1
SCHEMBL5031626 0.89 MMP2 (0.49) MMP2MMP9MMP13MMP3MMP1
SCHEMBL7959404 0.87 MMP2 (0.56) MMP2MMP9MMP13MMP3MMP1
SCHEMBL1378426 0.85 MMP2 (0.50) MMP2MMP9MMP13MMP3MMP1
SCHEMBL1380239 0.83 MMP2 (0.45) MMP2MMP9MMP13MMP3HDAC1
SCHEMBL1380169 0.82 MMP2 (0.48) MMP2MMP9MMP13MMP3HDAC1
Hydroxyamine SCHEMBL7481959 0.82 MMP2 (0.44) MMP2MMP9MMP13MMP3HDAC1
SCHEMBL7955821 0.80 MMP2 (0.46) MMP2MMP9MMP13MMP3MMP1
SCHEMBL14216826 0.79 DRD2 (0.49) MMP2MMP9MMP13MMP3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918278-A1 Sulfonylamino derivatives which inhibit matrix-degrading metalloproteinases Novartis AG (CH) 2008-05-07 EP claimed
US-6277987-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS NOVARTIS AG (CH) 2001-08-21 US claimed
EP-1918278-A1 Sulfonylamino derivatives which inhibit matrix-degrading metalloproteinases Novartis AG (CH) 2008-05-07 EP disclosed
EP-1918278-A1 Sulfonylamino derivatives which inhibit matrix-degrading metalloproteinases Novartis AG (CH) 2008-05-07 EP disclosed
US-6410580-B1 ANTIINFLAMMATORY AGENTS, RHEUMATIC DISEASES NOVARTIS AG (CH) 2002-06-25 US disclosed
US-6277987-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS NOVARTIS AG (CH) 2001-08-21 US disclosed