SCHEMBL7954596

SCHEMBL7954596

O=C(NO)[C@@H](CCCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.63
MMP9 P14780 9/20 0.63
MMP1 P03956 6/20 0.63
ADAM17 P78536 4/20 0.63
MMP14 P50281 3/20 0.63
ADAM10 O14672 1/20 0.60
MMP13 P45452 5/20 0.50
MMP3 P08254 3/20 0.49
BMP1 P13497 4/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
MMP7 P09237 2/20 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
SCHEMBL7956109 0.91 MMP2 (0.51) MMP2MMP9MMP1ADAM17MMP14
SCHEMBL7954067 0.90 MMP2 (0.64) MMP2MMP9MMP1ADAM17MMP14
SCHEMBL7959404 0.88 MMP2 (0.56) MMP2MMP9MMP1ADAM17MMP14
SCHEMBL5031626 0.85 MMP2 (0.49) MMP2MMP9MMP1ADAM17MMP14
SCHEMBL6722459 0.85 MMP2 (0.57) MMP2MMP9MMP1ADAM17MMP14
SCHEMBL7956126 0.83 MMP2 (0.55) MMP2MMP9MMP1ADAM17MMP14
SCHEMBL5034658 0.81 MMP2 (0.68) MMP2MMP9MMP1ADAM17MMP14
SCHEMBL7409638 0.81 MMP2 (0.77) MMP2MMP9MMP1ADAM17MMP14
SCHEMBL7945731 0.80 MMP2 (0.57) MMP2MMP9MMP1ADAM17MMP14
SCHEMBL6722446 0.80 MMP2 (0.52) MMP2MMP9MMP1ADAM17MMP14

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