SCHEMBL5728245

SCHEMBL5728245

CC(c1ccccc1)N(C)C(=O)c1ccc(Br)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.38
CCKAR P32238 6/20 0.38
LIMK2 P53671 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
GHSR Q92847 1/20 0.30
ACLY P53396 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
SCHEMBL3899517 1.00 CCKBR (0.38) CCKBRCCKARLIMK2L3MBTL1GAA
SCHEMBL3902088 0.92 CCKBR (0.33) CCKBRCCKAR
SCHEMBL5728424 0.91 LIMK2 (0.36) LIMK2EGLN1GHSRACLY
SCHEMBL3900580 0.91 LIMK2 (0.36) LIMK2EGLN1GHSRACLY
SCHEMBL3902462 0.91 LIMK2 (0.38) LIMK2EGLN1GHSR
SCHEMBL5443012 0.91 CCKBR (0.36) CCKBRCCKARLIMK2EGLN1ACLY
SCHEMBL3900502 0.91 CCKBR (0.36) CCKBRCCKARLIMK2EGLN1ACLY
SCHEMBL3902484 0.91 CCKBR (0.36) CCKBRCCKARLIMK2EGLN1ACLY
SCHEMBL3900162 0.88 USP2 (0.35) LIMK2ACLY
SCHEMBL3904144 0.86 L3MBTL1 (0.47) CCKBRCCKARL3MBTL1

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-1675837-A2 BENZO [1,2,5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-05 EP disclosed
WO-2005012275-A2 BENZO [1, 2, 5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-10 WO disclosed