SCHEMBL6819150

SCHEMBL6819150

O=C(NC(c1ccccc1)c1ccccc1)C(Cc1csc2ccccc12)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP14 P50281 1/20 0.42
MMP25 Q9NPA2 1/20 0.42
TACR1 P25103 1/20 0.40
F10 P00742 2/20 0.38
CASP1 P29466 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL6818927 1.00 CTSL (0.43) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6818865 0.86 ITGB3 (0.47) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6814340 0.83 CTSS (0.42) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6814338 0.83 CTSS (0.42) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6815409 0.81 MMP9 (0.45) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6815411 0.81 MMP9 (0.45) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6818706 0.80 HPN (0.45) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6819854 0.80 MMP2 (0.51) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6819859 0.80 MMP2 (0.51) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6818700 0.80 HPN (0.45) CTSLCTSSCTSKMMP2MMP9

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