SCHEMBL13948208

SCHEMBL13948208

CC(C)(C)[C@@H](Nc1n[s+]([O-])nc1Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1O)c1ccc(O)c(O)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 12/20 0.39
▸ CXCR2 P25025 6/20 0.38
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CXCR1 P25024 1/20 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
SCHEMBL13947842 0.89 CXCR2 (0.39) CCR6CXCR2CXCR1
SCHEMBL13207222 0.89 CXCR2 (0.45) CCR6CXCR2LMNAGAACXCR1
SCHEMBL13947994 0.87 CXCR2 (0.40) CCR6CXCR2LMNAGAACXCR1
SCHEMBL13207227 0.85 CXCR2 (0.38) CCR6CXCR2LMNAGAACXCR1
SCHEMBL13207212 0.84 CXCR2 (0.39) CCR6CXCR2LMNAGAACXCR1
SCHEMBL13207214 0.84 CCR6 (0.51) CCR6CXCR2CXCR1
SCHEMBL13947933 0.79 CXCR2 (0.39) CCR6CXCR2
SCHEMBL13207960 0.79 CXCR1 (0.48) CCR6CXCR2LMNACXCR1
SCHEMBL13207229 0.79 CXCR2 (0.42) CCR6CXCR2GAACXCR1
SCHEMBL13207226 0.79 KMT2A (0.38) CCR6CXCR2LMNAGAACXCR1

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
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