SCHEMBL24171241

SCHEMBL24171241

CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(=O)NS(=O)(=O)C(=O)S)CC(C)C

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 19/20 0.76
▸ MMP1 P03956 11/20 0.76
▸ MMP9 P14780 9/20 0.76
▸ MMP14 P50281 8/20 0.76
▸ MMP8 P22894 7/20 0.76
▸ ADAM10 O14672 1/20 0.76
▸ ADAM12 O43184 1/20 0.76
▸ ADAMTS4 O75173 1/20 0.76
▸ MMP3 P08254 1/20 0.76
▸ MMP7 P09237 1/20 0.76
▸ MMP12 P39900 1/20 0.76
▸ MMP13 P45452 1/20 0.76
▸ MMP15 P51511 1/20 0.76
▸ MMP16 P51512 1/20 0.76
▸ ADAM17 P78536 1/20 0.76
▸ ADAM9 Q13443 1/20 0.76
▸ MMP26 Q9NRE1 1/20 0.76
▸ MMP17 Q9ULZ9 1/20 0.76
▸ ADAMTS5 Q9UNA0 1/20 0.76

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
SCHEMBL24171226 0.91 MMP2 (0.77) MMP2MMP1MMP9MMP14MMP8
SCHEMBL24171217 0.91 MMP2 (0.75) MMP2MMP1MMP9MMP14MMP8
SCHEMBL24170626 0.90 MMP2 (0.80) MMP2MMP1MMP9MMP14MMP8
SCHEMBL24171208 0.89 MMP2 (0.77) MMP2MMP1MMP9MMP14MMP8
SCHEMBL24171238 0.88 MMP2 (0.75) MMP2MMP1MMP9MMP14MMP8
Ilomastat SCHEMBL8190117 0.86 MMP2 (1.00) MMP2MMP1MMP9MMP14MMP8
Ilomastat SCHEMBL13575799 0.86 MMP2 (1.00) MMP2MMP1MMP9MMP14MMP8
Ilomastat SCHEMBL35303 0.86 MMP2 (1.00) MMP2MMP1MMP9MMP14MMP8
Ilomastat SCHEMBL4293696 0.86 MMP2 (1.00) MMP2MMP1MMP9MMP14MMP8
Ilomastat SCHEMBL29412562 0.86 MMP2 (1.00) MMP2MMP1MMP9MMP14MMP8

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
WO-2022000071-A1 MATRIX METALLOPROTEINASE INHIBITORS (MMPIS) BRANDON UNIVERSITY (CA) 2022-01-06 — — WO disclosed
Send feedback