SCHEMBL7535121

SCHEMBL7535121

O=C(NO)C1CCCCN1S(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.70
MMP3 P08254 14/20 0.70
MMP7 P09237 13/20 0.70
MMP13 P45452 8/20 0.70
MMP2 P08253 5/20 0.61
MMP9 P14780 6/20 0.59
MMP8 P22894 2/20 0.59
ADAM17 P78536 2/20 0.59
MMP14 P50281 1/20 0.59

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
SCHEMBL7535118 1.00 MMP1 (0.70) MMP1MMP3MMP7MMP13MMP2
SCHEMBL7595323 0.99 MMP1 (0.72) MMP1MMP3MMP7MMP13MMP2
SCHEMBL7595326 0.99 MMP1 (0.72) MMP1MMP3MMP7MMP13MMP2
SCHEMBL7532601 0.88 MMP1 (0.73) MMP1MMP3MMP7MMP13MMP2
SCHEMBL7532596 0.88 MMP1 (0.73) MMP1MMP3MMP7MMP13MMP2
SCHEMBL7531694 0.88 MMP1 (0.73) MMP1MMP3MMP7MMP13MMP2
SCHEMBL7531686 0.88 MMP1 (0.73) MMP1MMP3MMP7MMP13MMP2
SCHEMBL7535528 0.87 MMP1 (0.75) MMP1MMP3MMP7MMP13MMP2
SCHEMBL7535524 0.87 MMP1 (0.75) MMP1MMP3MMP7MMP13MMP2
SCHEMBL7537019 0.87 MMP1 (0.71) MMP1MMP3MMP7MMP13MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-H1992-H1 INHIBITION OF METALLOPROTEINASES AND TUMOR NECROSIS FACTOR CONVERTASE WHICH DEGRADE PROTEIN COMPONENTS OF EXTRACELLULAR MATRIX AGOURON PHARMACEUTICALS, INC. 2001-09-04 US claimed
WO-1998050348-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-11-12 WO claimed
US-H1992-H1 INHIBITION OF METALLOPROTEINASES AND TUMOR NECROSIS FACTOR CONVERTASE WHICH DEGRADE PROTEIN COMPONENTS OF EXTRACELLULAR MATRIX AGOURON PHARMACEUTICALS, INC. 2001-09-04 US disclosed
WO-1998050348-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-11-12 WO disclosed