SCHEMBL6818316

SCHEMBL6818316

CCCCCCCCC(NS(=O)(=O)CCCC)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
NAAA Q02083 2/20 0.42
ITGB3 P05106 2/20 0.42
ITGAV P06756 1/20 0.42
MME P08473 1/20 0.41
MMP9 P14780 3/20 0.41
MMP1 P03956 3/20 0.41
MMP3 P08254 2/20 0.41
ITGA2B P08514 1/20 0.41
MMP2 P08253 4/20 0.41
MMP14 P50281 1/20 0.41
ASAH1 Q13510 2/20 0.41
ALDH1A1 P00352 1/20 0.40
ACER2 Q5QJU3 1/20 0.40
CNR2 P34972 1/20 0.40
TLR2 O60603 1/20 0.39

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
SCHEMBL6819772 0.88 MMP2 (0.44) POLBNPSR1ITGB3MMP3ITGA2B
SCHEMBL6819770 0.88 MMP2 (0.44) POLBNPSR1ITGB3MMP3ITGA2B
SCHEMBL6818664 0.88 HDAC3 (0.45) POLBNPSR1ITGB3ITGAVMMP9
SCHEMBL23171829 0.77 POLB (0.54) POLBNPSR1NAAAMMEMMP9
SCHEMBL31522342 0.76 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL6818957 0.76 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL6819162 0.76 ALDH1A1 (0.43) POLBNAAAMMP9MMP1MMP3
SCHEMBL8728179 0.73 SIRT2 (0.47) POLBITGB3ITGAVITGA2BCNR2
SCHEMBL22054577 0.73 POLB (0.49) POLBNPSR1NAAAMMEMMP9
SCHEMBL22054417 0.73 POLB (0.49) POLBNPSR1NAAAMMEMMP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004020402-A1 SULPHONYLAMINO DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO claimed
WO-2004020402-A1 SULPHONYLAMINO DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO disclosed