SCHEMBL6691208

SCHEMBL6691208

O=C(NO)O[C@@H]1CN(Cc2ccc(Oc3ccncc3)cc2)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.53
MMP13 P45452 11/20 0.53
MMP2 P08253 6/20 0.53
MMP3 P08254 4/20 0.53
MMP9 P14780 3/20 0.53
MMP7 P09237 2/20 0.37
HDAC1 Q13547 1/20 0.36
S1PR5 Q9H228 1/20 0.36
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35

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
SCHEMBL6689480 0.91 MMP13 (0.46) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6690364 0.89 MMP13 (0.50) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6693302 0.89 MMP13 (0.55) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6697906 0.88 MMP13 (0.69) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6693818 0.84 MMP13 (0.71) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6689092 0.84 MMP13 (0.67) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6693895 0.82 MMP13 (0.78) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6699992 0.80 MMP13 (0.73) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6691033 0.80 MMP13 (0.70) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6690792 0.79 MMP13 (0.66) MMP1MMP13MMP2MMP3MMP9

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-1134215-B1 2-oxo-imidazolidine-4-carboxylic acid hydroxamine compounds that inhibit matrix metalloproteinases PFIZER PROD INC (US) 2004-10-06 EP claimed