SCHEMBL13947699

SCHEMBL13947699

Cc1ccc(CNc2n[s+]([O-])nc2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)o1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 17/20 0.55
▸ CXCR1 P25024 14/20 0.55
▸ CCR7 P32248 1/20 0.35
▸ PDE8B O95263 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL13947617 0.89 CXCR2 (0.42) CXCR2CXCR1CCR7CLK1CLK2
SCHEMBL13947940 0.87 CXCR2 (0.41) CXCR2CXCR1CCR7CLK1CLK2
SCHEMBL13947991 0.87 CXCR2 (0.41) CXCR2CXCR1CCR7CLK1CLK2
SCHEMBL13948381 0.85 CXCR2 (0.40) CXCR2CXCR1PDE8B
SCHEMBL13948304 0.84 CXCR1 (0.42) CXCR2CXCR1PDE8BNPC1CLK1
SCHEMBL13948002 0.83 CXCR2 (0.44) CXCR2CXCR1
SCHEMBL13207009 0.82 CXCR2 (0.79) CXCR2CXCR1CCR7
SCHEMBL13207196 0.81 CXCR2 (0.78) CXCR2CXCR1CCR7
SCHEMBL14100259 0.80 CXCR1 (0.40) CXCR2CXCR1
SCHEMBL13947999 0.79 CXCR2 (0.46) CXCR2CXCR1CCR7

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-1551818-B1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2009-02-04 — — EP disclosed
EP-1694659-B1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2008-08-27 — — EP disclosed
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