SCHEMBL6821963

SCHEMBL6821963

O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)C(CCCC(F)(F)F)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
ITGB3 P05106 4/20 0.38
ITGA2B P08514 3/20 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
SCHEMBL6819162 0.85 ALDH1A1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6818782 0.81 ITGB3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6818852 0.79 ITGB3 (0.39) KMT2ASLC1A3SLC1A2SLC1A1ITGB3
SCHEMBL6818849 0.79 ITGB3 (0.39) KMT2ASLC1A3SLC1A2SLC1A1ITGB3
SCHEMBL6818411 0.76 CTSB (0.48) MEN1KMT2AITGB3ITGAV
SCHEMBL6818416 0.76 CTSB (0.48) MEN1KMT2AITGB3ITGAV
SCHEMBL6818664 0.72 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6819841 0.72 SLC1A3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6819839 0.72 SLC1A3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12044849 0.67 SLC1A3 (0.54) MEN1ALDH1A1HTTKMT2ASLC1A3

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 1 patent. 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 disclosed