SCHEMBL13947650

SCHEMBL13947650

CC[C@@H](NC1=NS(=O)(=O)N=C1Nc1cccc(C(=O)NCCNC)c1O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.52
▸ CXCR1 P25024 8/20 0.47

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
SCHEMBL13406928 0.89 CXCR2 (0.65) CXCR2CXCR1
SCHEMBL13406929 0.85 CXCR2 (0.65) CXCR2CXCR1
SCHEMBL13405674 0.84 CXCR2 (0.66) CXCR2CXCR1
SCHEMBL13406879 0.84 CXCR2 (0.66) CXCR2CXCR1
SCHEMBL13948221 0.82 CXCR2 (0.47) CXCR2CXCR1
SCHEMBL13406958 0.81 CXCR2 (0.68) CXCR2CXCR1
SCHEMBL13405684 0.80 CXCR2 (0.70) CXCR2CXCR1
SCHEMBL13406955 0.80 CXCR2 (0.67) CXCR2CXCR1
SCHEMBL13947731 0.79 KDM4E (0.43) CXCR2CXCR1
SCHEMBL13406919 0.79 KDM4E (0.43) 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-1551818-B1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2009-02-04 — — EP disclosed
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