SCHEMBL6186875

SCHEMBL6186875

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.57
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.33
GAA P10253 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4351895 0.90 BDKRB1 (0.61) BDKRB1TDP1TP53BCHEACHE
SCHEMBL4027742 0.86 BDKRB1 (0.59) BDKRB1TDP1TP53BCHEACHE
SCHEMBL4027525 0.86 BDKRB1 (0.62) BDKRB1TDP1TP53BCHEACHE
SCHEMBL6186876 0.85 BDKRB1 (0.42) BDKRB1TDP1TP53HPGDNPC1
SCHEMBL4027737 0.85 BDKRB1 (0.42) BDKRB1TDP1TP53HPGDNPC1
SCHEMBL4040827 0.80 BDKRB1 (0.66) BDKRB1BCHEACHERAB9A
SCHEMBL6982375 0.77 BDKRB1 (0.58) BDKRB1TP53MEN1KMT2ALMNA
SCHEMBL4031279 0.75 BDKRB1 (0.97) BDKRB1
SCHEMBL4030655 0.74 BDKRB1 (0.72) BDKRB1TDP1BCHEACHE
SCHEMBL5118277 0.73 BDKRB1 (0.66) BDKRB1TP53LMNA

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