SCHEMBL6818664

SCHEMBL6818664

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 1/20 0.43
MMP2 P08253 9/20 0.43
MMP3 P08254 5/20 0.43
MMP1 P03956 4/20 0.43

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
SCHEMBL6818316 0.88 POLB (0.45) POLBALDH1A1CNR2MMP2MMP3
SCHEMBL6819162 0.87 ALDH1A1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6819839 0.84 SLC1A3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6819841 0.84 SLC1A3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6818050 0.84 ITGB3 (0.53) MEN1ALDH1A1HTTKMT2ACNR2
SCHEMBL6819772 0.82 MMP2 (0.44) POLBALDH1A1MMP2MMP3NPSR1
SCHEMBL6819770 0.82 MMP2 (0.44) POLBALDH1A1MMP2MMP3NPSR1
SCHEMBL15308918 0.82 ALDH1A1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL600046 0.79 ALDH1A1 (0.52) MEN1ALDH1A1HTTKMT2ACNR2
SCHEMBL6818217 0.75 ITGB3 (0.41) ALDH1A1KMT2ACNR2MMP2MMP1

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