SCHEMBL6186876

SCHEMBL6186876

CC(=O)ON=C(N)c1ccc(CN(C)C(=O)CCCCNCS(=O)(=O)c2ccc(Cl)c(C)c2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.42
TDP1 Q9NUW8 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL4027737 1.00 BDKRB1 (0.42) BDKRB1TDP1HDAC3HDAC4HDAC1
SCHEMBL4027744 0.87 BDKRB1 (0.43) BDKRB1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4027527 0.87 BDKRB1 (0.46) BDKRB1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6186875 0.85 BDKRB1 (0.57) BDKRB1TDP1HPGDRAB9ANPC1
SCHEMBL4027530 0.83 BDKRB1 (0.45) BDKRB1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4040824 0.81 BDKRB1 (0.48) BDKRB1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4031286 0.76 BDKRB1 (0.73) BDKRB1
SCHEMBL4032602 0.76 BDKRB1 (0.54) BDKRB1RAB9AALDH1A1HTT
SCHEMBL4351895 0.74 BDKRB1 (0.61) BDKRB1TDP1HPGDTP53
SCHEMBL4036660 0.74 BDKRB1 (0.74) BDKRB1

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-1521744-A1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS LABORATOIRES FOURNIER S.A. (FR) 2005-04-13 EP disclosed
WO-2003106428-A1 NOVEL ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS THERAPEUTIC AGENTS LABORATOIRES FOURNIER SA (FR) 2003-12-24 WO disclosed