SCHEMBL4351895

SCHEMBL4351895

Cc1c(Cl)ccc(S(=O)(=O)N(C)CCCCC(=O)N(C)Cc2ccc(C(N)=NO)cc2)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.61
F10 P00742 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
BMP1 P13497 1/20 0.33
TP53 P04637 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 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
SCHEMBL6186875 0.90 BDKRB1 (0.57) BDKRB1TDP1TP53BCHEACHE
SCHEMBL4027525 0.89 BDKRB1 (0.62) BDKRB1F10TDP1TP53BCHE
SCHEMBL4040827 0.84 BDKRB1 (0.66) BDKRB1BCHEACHE
SCHEMBL4027742 0.82 BDKRB1 (0.59) BDKRB1TDP1TP53BCHEACHE
SCHEMBL4031279 0.78 BDKRB1 (0.97) BDKRB1
SCHEMBL4030655 0.77 BDKRB1 (0.72) BDKRB1TDP1BCHEACHE
SCHEMBL5118277 0.76 BDKRB1 (0.66) BDKRB1TP53LMNA
SCHEMBL4036657 0.76 BDKRB1 (1.00) BDKRB1
SCHEMBL6767059 0.75 BDKRB1 (0.61) BDKRB1F10BMP1TP53MEN1
SCHEMBL6767060 0.75 BDKRB1 (0.61) BDKRB1F10BMP1TP53MEN1

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
EP-1521744-B1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS FOURNIER LAB SA (FR) 2009-04-01 EP disclosed