SCHEMBL7537019

SCHEMBL7537019

O=C(NO)C1CCCCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.71
MMP3 P08254 7/20 0.71
MMP7 P09237 6/20 0.71
MMP13 P45452 4/20 0.71
ADAM17 P78536 2/20 0.69
MMP9 P14780 4/20 0.67
MMP2 P08253 3/20 0.67
LMNA P02545 3/20 0.62
TSHR P16473 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MAPT P10636 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 1/20 0.57
MMP8 P22894 1/20 0.56
L3MBTL1 Q9Y468 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
SCHEMBL7537010 1.00 MMP1 (0.71) MMP1MMP3MMP7MMP13ADAM17
SCHEMBL7923816 0.99 MMP1 (0.73) MMP1MMP3MMP7MMP13ADAM17
SCHEMBL7923819 0.99 MMP1 (0.73) MMP1MMP3MMP7MMP13ADAM17
SCHEMBL31086980 0.93 MMP1 (0.70) MMP1MMP3MMP7MMP13MMP9
SCHEMBL7532601 0.89 MMP1 (0.73) MMP1MMP3MMP7MMP13ADAM17
SCHEMBL7531694 0.89 MMP1 (0.73) MMP1MMP3MMP7MMP13ADAM17
SCHEMBL7532596 0.89 MMP1 (0.73) MMP1MMP3MMP7MMP13ADAM17
SCHEMBL7531686 0.89 MMP1 (0.73) MMP1MMP3MMP7MMP13ADAM17
SCHEMBL7537969 0.88 MMP1 (0.71) MMP1MMP3MMP7MMP13ADAM17
SCHEMBL7535524 0.88 MMP1 (0.75) MMP1MMP3MMP7MMP13ADAM17

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