SCHEMBL13947848

SCHEMBL13947848

COc1c(NC2=NS(=O)(=O)N=C2NC(c2ccccc2)C2CCCCC2)cccc1C(=O)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 13/20 0.48
▸ CXCR1 P25024 9/20 0.48
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ CCR7 P32248 1/20 0.35

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
SCHEMBL13407385 0.89 CXCR2 (0.61) CXCR2CXCR1CCR6CCR7
SCHEMBL13406984 0.84 CXCR2 (0.67) CXCR2CXCR1CCR6CCR7
SCHEMBL13947585 0.72 CXCR2 (0.35) CXCR2CXCR1JAK1TYK2
SCHEMBL13406880 0.71 CXCR2 (0.64) CXCR2CXCR1CCR6
SCHEMBL13406876 0.71 CXCR2 (0.66) CXCR2CXCR1CCR6
SCHEMBL13407010 0.71 CXCR2 (0.53) CXCR2CXCR1CCR7
SCHEMBL13948030 0.71 CXCR2 (0.54) CXCR2CXCR1JAK1TYK2
SCHEMBL13407334 0.71 CXCR2 (0.58) CXCR2CXCR1CCR7
SCHEMBL13405726 0.71 CXCR1 (0.69) CXCR2CXCR1CCR6CCR7
SCHEMBL13407000 0.71 CXCR2 (0.51) 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 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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