SCHEMBL4030660

SCHEMBL4030660

CN(Cc1ccc(C2=NCCN2)cc1)C(=O)C=CCNCS(=O)(=O)c1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.54
NISCH Q9Y2I1 1/20 0.41
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL4030658 1.00 BDKRB1 (0.54) BDKRB1NISCHMEN1NPC1TSHR
SCHEMBL4030386 0.91 BDKRB1 (0.59) BDKRB1NISCH
SCHEMBL4030385 0.91 BDKRB1 (0.59) BDKRB1NISCH
SCHEMBL4033078 0.88 BDKRB1 (0.58) BDKRB1NISCHKMT2A
SCHEMBL4033075 0.88 BDKRB1 (0.58) BDKRB1NISCHKMT2A
SCHEMBL4030692 0.88 BDKRB1 (0.59) BDKRB1KMT2A
SCHEMBL4030698 0.88 BDKRB1 (0.59) BDKRB1KMT2A
SCHEMBL4030656 0.87 BDKRB1 (0.69) BDKRB1NISCHMEN1NPC1TSHR
SCHEMBL5118019 0.87 BDKRB1 (0.69) BDKRB1NISCHMEN1NPC1TSHR
SCHEMBL4204340 0.85 BDKRB1 (0.49) BDKRB1NISCH

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