SCHEMBL6138814

SCHEMBL6138814

COc1ccccc1Nc1c(Nc2ccc(Cl)c(S)c2O)c(=O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 4/20 0.48
CXCR2 P25025 8/20 0.44
CLCN2 P51788 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NFE2L2 Q16236 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL6138330 0.85 ACLY (0.46) CCR6CXCR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6138738 0.84 CXCR2 (0.54) CCR6CXCR2
SCHEMBL3882244 0.82 CXCR2 (0.69) CCR6CXCR2CLCN2ALDH1A1MAPK1
SCHEMBL5711770 0.81 CCR6 (0.56) CCR6CXCR2
SCHEMBL6138817 0.81 CXCR2 (0.61) CCR6CXCR2
SCHEMBL6138890 0.80 CXCR2 (0.66) CXCR2
SCHEMBL6104443 0.77 CXCR2 (0.61) CXCR2ALDH1A1MAPK1MAPTKDM4E
SCHEMBL6138369 0.77 CXCR2 (0.47) CCR6CXCR2
SCHEMBL6138767 0.75 CXCR2 (0.50) CCR6CXCR2
SCHEMBL5711805 0.75 CXCR2 (0.74) CCR6CXCR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351933-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-09-07 EP disclosed
EP-1351933-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2003-10-15 EP disclosed
WO-2002057230-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-25 WO disclosed