SCHEMBL6819841

SCHEMBL6819841

O=C(NC(c1ccccc1)c1ccccc1)[C@H](CCc1ccccc1)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
F10 P00742 7/20 0.44
F2 P00734 4/20 0.44
MMP2 P08253 5/20 0.43
MMP3 P08254 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL6819839 1.00 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1F10F2
SCHEMBL6819770 0.84 MMP2 (0.44) MMP2MMP3ALDH1A1
SCHEMBL6818664 0.84 HDAC3 (0.45) F10F2MMP2MMP3ALDH1A1
SCHEMBL6819772 0.84 MMP2 (0.44) MMP2MMP3ALDH1A1
SCHEMBL1329533 0.82 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1F10MMP2
SCHEMBL29417563 0.81 MME (0.48) SLC1A3SLC1A2SLC1A1F10F2
SCHEMBL6818217 0.80 ITGB3 (0.41) SLC1A3SLC1A2SLC1A1F2MMP2
SCHEMBL16938448 0.77 CA2 (0.48) SLC1A3SLC1A2SLC1A1F10F2
SCHEMBL6819150 0.76 CTSL (0.43) SLC1A3SLC1A2SLC1A1F10MMP2
SCHEMBL6818927 0.76 CTSL (0.43) SLC1A3SLC1A2SLC1A1F10MMP2

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