SCHEMBL7954067

SCHEMBL7954067

O=C(NO)[C@@H](CCCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.64
MMP9 P14780 10/20 0.64
ADAM17 P78536 4/20 0.64
MMP1 P03956 4/20 0.64
MMP14 P50281 3/20 0.64
ADAM10 O14672 1/20 0.61
MMP13 P45452 3/20 0.51
BMP1 P13497 4/20 0.50
MMP3 P08254 2/20 0.50
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC7 Q8WUI4 2/20 0.45
HDAC1 Q13547 1/20 0.44

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
SCHEMBL5034658 0.91 MMP2 (0.68) MMP2MMP9ADAM17MMP1MMP14
SCHEMBL7945731 0.90 MMP2 (0.57) MMP2MMP9ADAM17MMP1MMP14
SCHEMBL7954596 0.90 MMP2 (0.63) MMP2MMP9ADAM17MMP1MMP14
SCHEMBL7945656 0.85 MMP2 (0.77) MMP2MMP9ADAM17MMP1MMP14
SCHEMBL1378426 0.85 MMP2 (0.50) MMP2MMP9ADAM17MMP1MMP14
SCHEMBL7956126 0.84 MMP2 (0.55) MMP2MMP9ADAM17MMP1MMP14
SCHEMBL7959404 0.84 MMP2 (0.56) MMP2MMP9ADAM17MMP1MMP14
SCHEMBL7959937 0.81 MMP2 (0.69) MMP2MMP9ADAM17MMP1MMP14
SCHEMBL5033356 0.81 MMP2 (0.69) MMP2MMP9ADAM17MMP1MMP14
SCHEMBL7409638 0.81 MMP2 (0.77) MMP2MMP9ADAM17MMP1MMP14

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
US-6277987-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS NOVARTIS AG (CH) 2001-08-21 US disclosed