SCHEMBL9504503

SCHEMBL9504503

CC(C)S(=O)(=O)c1c(Cl)cnc(Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
NPSR1 Q6W5P4 4/20 0.36
CXCR2 P25025 6/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALK Q9UM73 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CDK7 P50613 3/20 0.30
CDK9 P50750 3/20 0.30
MAPT P10636 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
SCHEMBL9064398 0.74 L3MBTL1 (0.32) CXCR2L3MBTL1
SCHEMBL30519831 0.71 ALDH1A1 (0.39) ALDH1A1NPSR1SMN1; SMN2MAPT
SCHEMBL2810579 0.71 ALDH1A1 (0.39) ALDH1A1NPSR1SMN1; SMN2MAPT
SCHEMBL7681305 0.70 ALDH1A1 (0.58) ALDH1A1NPSR1L3MBTL1SMN1; SMN2MAPT
SCHEMBL9619932 0.66 L3MBTL1 (0.32) ALDH1A1L3MBTL1
SCHEMBL14519917 0.66 CXCR2 (0.50) ALDH1A1CXCR2
SCHEMBL23627302 0.64 MAPK3 (0.34) ALDH1A1NPSR1
SCHEMBL31484941 0.64 MAPK3 (0.34) ALDH1A1NPSR1
SCHEMBL6651470 0.62 CYP3A4 (0.35) SMN1; SMN2
SCHEMBL29462909 0.62 CYP3A4 (0.35) SMN1; SMN2

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-0550142-A1 Biocide composition and use ZENECA LIMITED (GB) 1993-07-07 EP claimed
EP-0550142-A1 Biocide composition and use ZENECA LIMITED (GB) 1993-07-07 EP disclosed