SCHEMBL7546977

SCHEMBL7546977

COC[C@@H]1CCCN1S(=O)(=O)c1c(Cl)ccc(N(C(N)=O)c2ccccc2Br)c1O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 17/20 0.40
CASP7 P55210 16/20 0.40
CASP1 P29466 1/20 0.37
CASP9 P55211 1/20 0.36
NAMPT P43490 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL6137021 0.93 CASP3 (0.40) CASP3CASP7CASP1CASP9OPRM1
SCHEMBL6137020 0.93 CASP3 (0.40) CASP3CASP7CASP1CASP9OPRM1
SCHEMBL27552241 0.90 PLAU (0.39) NAMPTOPRM1OPRK1
SCHEMBL27552112 0.86 CASP3 (0.37) CASP3
SCHEMBL27571760 0.80 CXCR2 (0.45)
SCHEMBL6139839 0.79 VEGFA (0.32) CASP3CASP7
SCHEMBL6564039 0.78 CXCR2 (0.55)
SCHEMBL6563959 0.77 CASP3 (0.45) CASP3CASP7CASP1CASP9
SCHEMBL7542421 0.76 CXCR2 (0.39)
SCHEMBL6138062 0.76 CXCR2 (0.45) CASP3CASP7NAMPT

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-1161232-A4 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-09-18 EP disclosed
EP-1161232-A1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2001-12-12 EP disclosed
WO-2000035442-A1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-06-22 WO disclosed