SCHEMBL7211784

SCHEMBL7211784

NCCc1ccc(NC(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(Cl)c3Cl)c2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 13/20 0.51
CX3CR1 P49238 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
KLKB1 P03952 1/20 0.47
CYP1A2 P05177 1/20 0.46
CXCR1 P25024 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL7211916 0.87 CXCR2 (0.62) CXCR2MEN1KMT2ALMNAMAPT
SCHEMBL6549708 0.84 MEN1 (0.68) CXCR2CX3CR1MEN1KMT2ALMNA
SCHEMBL7211966 0.78 CXCR2 (0.53) CXCR2CX3CR1MEN1KMT2ALMNA
SCHEMBL6549682 0.75 CXCR2 (0.55) CXCR2CX3CR1MEN1KMT2ALMNA
SCHEMBL1880282 0.74 CXCR2 (0.70) CXCR2CX3CR1MEN1KMT2ALMNA
SCHEMBL7211780 0.69 CXCR2 (0.50) CXCR2MEN1KMT2ALMNACXCR1
SCHEMBL10710090 0.69 MEN1 (0.79) CXCR2CX3CR1MEN1KMT2ALMNA
SCHEMBL6566318 0.69 CXCR2 (0.69) CXCR2CX3CR1CXCR1
SCHEMBL10713102 0.69 MEN1 (0.79) MEN1KMT2ALMNAMAPTCYP1A2
SCHEMBL1535901 0.68 CXCR2 (1.00) CXCR2CX3CR1CXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237548-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP claimed
EP-1237548-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-09-11 EP claimed
WO-2001034141-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO claimed
EP-1237548-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-1237548-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-09-11 EP disclosed
WO-2001034141-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed