SCHEMBL14101052

SCHEMBL14101052

Cc1ccccc1Nc1nsnc1Nc1cccc(C(=O)N(C)CC(=O)O)c1O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 20/20 0.56
▸ CXCR2 P25025 20/20 0.56

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
SCHEMBL13208797 0.90 CXCR2 (0.57) CXCR1CXCR2
SCHEMBL13208796 0.88 CXCR1 (0.56) CXCR1CXCR2
SCHEMBL14100429 0.88 CXCR1 (0.56) CXCR1CXCR2
SCHEMBL14100486 0.87 CXCR2 (0.67) CXCR1CXCR2
SCHEMBL13208795 0.85 CXCR1 (0.52) CXCR1CXCR2
SCHEMBL13208798 0.83 CXCR1 (0.68) CXCR1CXCR2
SCHEMBL13227314 0.83 CXCR1 (0.68) CXCR1CXCR2
SCHEMBL13227467 0.81 CXCR1 (0.65) CXCR1CXCR2
SCHEMBL13208815 0.81 CXCR1 (0.65) CXCR1CXCR2
SCHEMBL13208806 0.80 CXCR2 (0.82) CXCR1CXCR2

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-1694659-B1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2008-08-27 — — EP disclosed
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