SCHEMBL7369631

SCHEMBL7369631

NC(=O)C1CNCCN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.56
MMP3 P08254 13/20 0.56
MMP9 P14780 9/20 0.56
MMP13 P45452 7/20 0.56
MMP7 P09237 7/20 0.56
ADAM17 P78536 3/20 0.49
MMP8 P22894 5/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MMP2 P08253 3/20 0.47
MMP14 P50281 2/20 0.45

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
SCHEMBL7765009 0.91 MMP1 (0.58) MMP1MMP3MMP9MMP13MMP7
SCHEMBL3914496 0.90 MMP1 (0.58) MMP1MMP3MMP9MMP13MMP7
SCHEMBL5635689 0.89 MMP9 (0.52) MMP1MMP3MMP9MMP13MMP7
SCHEMBL1617124 0.82 PKM (0.55) MMP1MMP3MMP9MMP13MMP7
SCHEMBL27488462 0.81 MMP9 (0.56) MMP1MMP3MMP9MMP13MMP7
SCHEMBL14878432 0.78 SCN9A (0.47) MMP1MMP3MMP9MMP13MMP7
SCHEMBL6269395 0.77 MMP1 (0.76) MMP1MMP3MMP9MMP13MMP7
SCHEMBL6344488 0.76 MMP1 (0.74) MMP1MMP3MMP9MMP13MMP7
SCHEMBL6344485 0.76 MMP1 (0.74) MMP1MMP3MMP9MMP13MMP7
Hydrochloric Acid SCHEMBL6863986 0.76 MMP1 (0.74) MMP1MMP3MMP9MMP13MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874830-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES, AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1998-11-04 EP disclosed
WO-1997020824-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES, AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1997-06-12 WO disclosed