SCHEMBL6863618

SCHEMBL6863618

CN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)Cc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.45
MMP13 P45452 3/20 0.45
MMP9 P14780 2/20 0.45
ADAM17 P78536 1/20 0.45
RORC P51449 2/20 0.44
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.39
MMP3 P08254 1/20 0.39
BMP1 P13497 1/20 0.38
NAMPT P43490 2/20 0.38
TBXAS1 P24557 1/20 0.38
TP53 P04637 1/20 0.37
MMP8 P22894 2/20 0.37
MMP7 P09237 1/20 0.37
MMP12 P39900 1/20 0.37
MMP2 P08253 1/20 0.37
MMP14 P50281 1/20 0.37
MMP16 P51512 1/20 0.37

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
SCHEMBL328659 0.91 RORC (0.40) RORCPOLBALDH1A1TDP1KMT2A
SCHEMBL6851737 0.91 TDP1 (0.41) MMP1MMP13MMP9TDP1KMT2A
SCHEMBL6850285 0.88 MMP13 (0.41) MMP1MMP13MMP9ADAM17RORC
SCHEMBL6863154 0.83 MMP1 (0.40) MMP1MMP13MMP9TDP1MMP3
SCHEMBL6864863 0.81 MMP2 (0.45) MMP1MMP13MMP9ADAM17MMP3
SCHEMBL328492 0.81 MMP1 (0.42) MMP1MMP13MMP9MMP3BMP1
SCHEMBL328493 0.80 TDP1 (0.44) MMP1MMP13MMP9TDP1KMT2A
SCHEMBL6863158 0.80 MMP3 (0.43) MMP1MMP13MMP9MMP3BMP1
SCHEMBL328407 0.80 MMP1 (0.43) MMP1MMP13MMP9MMP3BMP1
SCHEMBL328649 0.80 MMP1 (0.44) MMP1MMP13MMP9KMT2AMMP3

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-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