SCHEMBL13947425

SCHEMBL13947425

Bc1ccc(NC2=NS(=O)(=O)N=C2N[C@@H](C)C(C)(C)C)c(O)c1C(=O)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 15/20 0.43
▸ CCR7 P32248 1/20 0.43
▸ CXCR1 P25024 11/20 0.42
▸ CCR6 P51684 5/20 0.34

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
SCHEMBL13405722 0.88 CXCR2 (0.43) CXCR2CCR7CXCR1CCR6
SCHEMBL13948207 0.85 CCR6 (0.46) CXCR2CCR7CXCR1CCR6
SCHEMBL13947732 0.83 CXCR2 (0.55) CXCR2CCR7CXCR1CCR6
SCHEMBL13947689 0.83 CXCR2 (0.49) CXCR2CCR7CXCR1CCR6
SCHEMBL13947476 0.82 CXCR2 (0.45) CXCR2CCR7CXCR1CCR6
SCHEMBL13948003 0.82 CXCR2 (0.51) CXCR2CCR7CXCR1
SCHEMBL13407040 0.81 CXCR2 (0.63) CXCR2CCR7CXCR1CCR6
SCHEMBL13440356 0.81 CXCR2 (0.63) CXCR2CCR7CXCR1CCR6
SCHEMBL13947202 0.81 CXCR2 (0.42) CXCR2CCR7CXCR1CCR6
SCHEMBL13948263 0.81 CXCR2 (0.53) CXCR2CCR7CXCR1CCR6

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 1 patent. 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
Send feedback