SCHEMBL7533478

SCHEMBL7533478

CN(C(CSCc1nccn1C)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.53
MMP1 P03956 13/20 0.53
MMP9 P14780 9/20 0.53
ADAM17 P78536 5/20 0.53
DUT P33316 1/20 0.47
MMP3 P08254 2/20 0.42
MMP2 P08253 1/20 0.42
TSHR P16473 1/20 0.37
MMP7 P09237 1/20 0.37

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
SCHEMBL7533476 1.00 MMP13 (0.53) MMP13MMP1MMP9ADAM17DUT
SCHEMBL7540502 0.92 MMP13 (0.51) MMP13MMP1MMP9ADAM17DUT
SCHEMBL7532363 0.92 MMP13 (0.51) MMP13MMP1MMP9ADAM17DUT
SCHEMBL7532360 0.92 MMP13 (0.51) MMP13MMP1MMP9ADAM17DUT
SCHEMBL7540496 0.92 MMP13 (0.51) MMP13MMP1MMP9ADAM17DUT
SCHEMBL7532310 0.83 MMP13 (0.64) MMP13MMP1MMP9ADAM17DUT
SCHEMBL7532306 0.83 MMP13 (0.64) MMP13MMP1MMP9ADAM17DUT
SCHEMBL7534131 0.81 MMP13 (0.57) MMP13MMP1MMP9ADAM17DUT
SCHEMBL7534128 0.81 MMP13 (0.57) MMP13MMP1MMP9ADAM17DUT
SCHEMBL7536984 0.79 MMP13 (0.51) MMP13MMP1MMP9ADAM17DUT

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 3 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