SCHEMBL6690364

SCHEMBL6690364

O=C(NO)O[C@@H]1CN(Cc2ccc(-c3ccncc3)cc2)C(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.50
MMP1 P03956 6/20 0.50
GRM2 Q14416 1/20 0.46
MMP2 P08253 5/20 0.43
MMP9 P14780 3/20 0.43
MMP3 P08254 2/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC4 P56524 1/20 0.42
LSS P48449 3/20 0.36
MMP12 P39900 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 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 0.93 MMP13 (0.46) MMP13MMP1GRM2MMP2MMP9
SCHEMBL6691208 0.89 MMP1 (0.53) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6690792 0.87 MMP13 (0.66) MMP13MMP1GRM2MMP2MMP9
SCHEMBL6689092 0.81 MMP13 (0.67) MMP13MMP1GRM2MMP2MMP9
SCHEMBL6689082 0.80 MMP13 (0.76) MMP13MMP1GRM2MMP2MMP9
SCHEMBL6693302 0.80 MMP13 (0.55) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6697906 0.79 MMP13 (0.69) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6697408 0.77 MMP13 (0.67) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6691033 0.77 MMP13 (0.70) MMP13MMP1GRM2MMP2MMP9
SCHEMBL6693818 0.75 MMP13 (0.71) MMP13MMP1MMP2MMP9MMP3

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