SCHEMBL328558

SCHEMBL328558

CN(CCN(CC(=O)NO)S(=O)(=O)c1ccc(-c2cccc(F)c2)nc1)C(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.43
PTGS2 P35354 1/20 0.41
WNT3A P56704 4/20 0.40
MMP1 P03956 3/20 0.39
MMP8 P22894 3/20 0.39
MMP13 P45452 3/20 0.39
MMP7 P09237 2/20 0.39
MMP12 P39900 2/20 0.39
GRIN2B Q13224 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
ADAM17 P78536 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEP1B Q16820 1/20 0.36
BMP1 P13497 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6850534 0.80 MMP13 (0.40) MMP3MMP1MMP8MMP13MMP7
SCHEMBL6865718 0.78 MMP3 (0.58) MMP3MMP1MMP8MMP13MMP7
SCHEMBL6864106 0.75 MMP3 (0.50) MMP3MMP1MMP8MMP13MMP7
SCHEMBL328406 0.72 MMP3 (0.49) MMP3MMP1MMP8MMP13MMP7
SCHEMBL328554 0.72 MMP3 (0.48) MMP3MMP1MMP8MMP13MMP7
SCHEMBL779058 0.68 MMP1 (0.57) MMP3MMP1MMP13MMP7MMP9
SCHEMBL10067175 0.68 ALDH1A1 (0.45) MMP3MMP2MMP9L3MBTL1BMP1
SCHEMBL3879768 0.66 WNT3A (0.40) PTGS2WNT3AGRIN2BGAAMEN1
SCHEMBL6864486 0.66 WNT3A (0.39) PTGS2WNT3AALDH1A1KDM4EMEN1
SCHEMBL328417 0.65 MEN1 (0.43) MMP3L3MBTL1ALDH1A1GAAHTT

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
EP-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed
WO-2011041545-A1 METHODS OF TREATING ANEURYSMAL DILATATION, BLOOD VESSEL WALL WEAKNESS AND SPECIFICALLY ABDOMINAL AORTIC AND THORACIC ANEURYSM USING MATRIX METALLOPROTEASE-2 INHIBITORS SYMPHONY EVOLUTION, INC. (US) 2011-04-07 WO disclosed
WO-2011011181-A1 PHARMACOLOGICAL CHAPERONES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AMICUS THERAPEUTICS, INC. (US) 2011-01-27 WO disclosed