SCHEMBL14100486

SCHEMBL14100486

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

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.67
▸ CXCR1 P25024 17/20 0.67

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
SCHEMBL13208178 0.88 CXCR2 (0.69) CXCR2CXCR1
SCHEMBL13208179 0.87 CXCR2 (0.66) CXCR2CXCR1
SCHEMBL14101052 0.87 CXCR1 (0.56) CXCR2CXCR1
SCHEMBL13208174 0.84 CXCR2 (0.72) CXCR2CXCR1
SCHEMBL13208259 0.83 CXCR2 (0.65) CXCR2CXCR1
SCHEMBL13208141 0.81 CXCR1 (1.00) CXCR2CXCR1
SCHEMBL13208140 0.81 CXCR1 (1.00) CXCR2CXCR1
SCHEMBL13208175 0.80 CXCR2 (0.67) CXCR2CXCR1
SCHEMBL13208180 0.80 CXCR1 (0.84) CXCR2CXCR1
SCHEMBL14100385 0.80 CXCR2 (0.64) CXCR2CXCR1

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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