SCHEMBL7400320

SCHEMBL7400320

O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)O.[KH].[KH]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HDAC8 Q9BY41 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
ACHE P22303 4/20 0.50
HTR1A P08908 3/20 0.50

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
SCHEMBL5652084 1.00 TDP1 (0.53) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL2169798 0.98 TDP1 (0.54) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL19900766 0.97 TDP1 (0.57) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL5794366 0.97 TDP1 (0.57) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL17122199 0.97 TDP1 (0.57) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL3670226 0.95 TDP1 (0.50) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL2284215 0.95 TDP1 (0.50) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL918303 0.93 TDP1 (0.51) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL6284185 0.88 GLS (0.52) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL496740 0.86 GLS (0.53) TDP1L3MBTL1HDAC8HDAC3HDAC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981491-A PEPTIDES; METALLOENZYMES; TUMOR NECROSIS FACTOR DARWIN DISCOVERY LIMITED (GB) 1999-11-09 US disclosed
EP-0824543-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION, AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-02-25 EP disclosed
WO-1996035711-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION, AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed