SCHEMBL4674847

SCHEMBL4674847

CC(NS(=O)(=O)N1CCc2c([nH]c3ccccc23)C1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
KDM4E B2RXH2 1/20 0.50
TRPV1 Q8NER1 11/20 0.49
FAAH O00519 1/20 0.49
GPX4 P36969 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
BAZ2B Q9UIF8 1/20 0.48
MMP1 P03956 1/20 0.48
MMP14 P50281 1/20 0.48

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
SCHEMBL4674850 1.00 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8105746 0.79 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6784097 0.78 GPX4 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2184362 0.76 KDM4E (0.59) KDM4ETRPV1FAAHGPX4LMNA
SCHEMBL6059462 0.75 MMP1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2765052 0.75 MMP1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2765049 0.75 MMP1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6783193 0.74 HDAC6 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL969392 0.72 TRPV1 (0.72) HDAC1HDAC6KDM4ETRPV1FAAH
SCHEMBL4670972 0.71 FNTA (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed