SCHEMBL7290264

SCHEMBL7290264

O=C(NO)C1(O)CNCCC1S(=O)(=O)c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.55
MMP1 P03956 11/20 0.49
ADAMTS4 O75173 5/20 0.43
MMP2 P08253 3/20 0.43
MMP9 P14780 2/20 0.43
MMP3 P08254 1/20 0.43
MMP12 P39900 1/20 0.43
MMP14 P50281 1/20 0.43
RORC P51449 1/20 0.41
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ADAM17 P78536 1/20 0.38

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
SCHEMBL7204063 0.89 MMP13 (0.53) MMP13MMP1ADAMTS4MMP2MMP9
SCHEMBL7201008 0.88 MMP13 (0.54) MMP13MMP1ADAMTS4MMP2MMP9
SCHEMBL7202562 0.88 MMP13 (0.55) MMP13MMP1ADAMTS4MMP2MMP9
Hydroxyamine SCHEMBL7209949 0.87 MMP13 (0.42) MMP13MMP1MMP2MMP9RORC
SCHEMBL7199642 0.85 MMP13 (0.57) MMP13MMP1ADAMTS4MMP2MMP9
SCHEMBL7201763 0.85 MMP13 (0.55) MMP13MMP1ADAMTS4MMP2MMP9
SCHEMBL7209957 0.85 MMP13 (0.41) MMP13MMP1MMP2MMP9RORC
SCHEMBL7207000 0.83 MMP13 (0.79) MMP13MMP1ADAMTS4MMP2MMP9
SCHEMBL7201536 0.83 MMP13 (0.53) MMP13MMP1ADAMTS4MMP2MMP9
SCHEMBL7300731 0.83 MMP13 (0.67) MMP13MMP1ADAMTS4MMP2MMP9

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
EP-1138680-A1 Gem substituted sulfonyl hydroxamic acids as MMP inhibitors Pfizer Products Inc. (US) 2001-10-04 EP disclosed