SCHEMBL6818849

SCHEMBL6818849

O=C(N[C@@H](c1ccccc1)[C@@H](O)c1ccccc1)C(Cc1cc(F)cc(F)c1)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.39
ITGA2B P08514 2/20 0.39
ITGAV P06756 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
EEF2K O00418 1/20 0.38
MMP9 P14780 3/20 0.37
MMP8 P22894 2/20 0.37
MMP14 P50281 1/20 0.37
F2 P00734 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSL P07711 1/20 0.36
MMP2 P08253 2/20 0.35
BACE1 P56817 2/20 0.35
CTSB P07858 1/20 0.35
CTSD P07339 1/20 0.35
PSMB5 P28074 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL6818852 1.00 ITGB3 (0.39) ITGB3ITGA2BITGAVSLC1A3SLC1A2
SCHEMBL6818217 0.87 ITGB3 (0.41) ITGB3ITGA2BITGAVSLC1A3SLC1A2
SCHEMBL6818411 0.84 CTSB (0.48) ITGB3ITGAVKMT2ACTSLCTSB
SCHEMBL6818416 0.84 CTSB (0.48) ITGB3ITGAVKMT2ACTSLCTSB
SCHEMBL6813988 0.81 ITGB3 (0.55) ITGB3ITGA2BITGAVSLC1A3SLC1A2
SCHEMBL6821963 0.79 HDAC3 (0.41) ITGB3ITGA2BITGAVSLC1A3SLC1A2
SCHEMBL6819162 0.77 ALDH1A1 (0.43) MMP9KMT2AMMP2MMP1
Benzene SCHEMBL6818809 0.73 EEF2K (0.42) EEF2KMMP9MMP8MMP14KMT2A
SCHEMBL6092218 0.70 LTA4H (0.54) ITGB3ITGA2B
SCHEMBL6819764 0.70 MMP2 (0.58) EEF2KMMP9MMP8MMP14CTSL

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