SCHEMBL6139839

SCHEMBL6139839

COC[C@@H]1CCCN1NS(=O)(=O)c1c(Cl)ccc(N(C(N)=S)c2ccccc2Br)c1O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
CXCR1 P25024 2/20 0.31
CXCR2 P25025 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC1 Q13547 1/20 0.31
CASP3 P42574 1/20 0.30
CASP7 P55210 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
SCHEMBL6141269 0.90 VEGFA (0.35) VEGFAEGLN1CXCR1CXCR2HDAC8
SCHEMBL6140467 0.90 CXCR2 (0.33) VEGFAEGLN1CXCR2HDAC8HDAC6
SCHEMBL6140473 0.90 CXCR2 (0.33) VEGFAEGLN1CXCR2HDAC8HDAC6
SCHEMBL27580734 0.90 CXCR2 (0.32) CXCR1CXCR2
SCHEMBL6140719 0.87 CASP3 (0.32) CASP3CASP7
SCHEMBL6137020 0.86 CASP3 (0.40) CASP3CASP7
SCHEMBL6137021 0.86 CASP3 (0.40) CASP3CASP7
SCHEMBL2768274 0.80 CXCR2 (0.43) CXCR1CXCR2
SCHEMBL2768897 0.80 CXCR2 (0.43) CXCR1CXCR2
SCHEMBL2768276 0.80 CXCR2 (0.43) CXCR1CXCR2

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-1272175-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-08-31 EP disclosed
EP-1272175-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-08 EP disclosed
WO-2001072960-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-04 WO disclosed