SCHEMBL6823110

SCHEMBL6823110

O=C(Nc1ccccc1Br)Nc1ccc(Cl)c(Cl)c1O.O=C(Nc1ccccc1Br)Nc1cccc([N+](=O)[O-])c1O

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 15/20 0.75
CXCR1 P25024 11/20 0.75
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CX3CR1 P49238 1/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 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
SCHEMBL3706755 0.89 CXCR1 (0.72) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL3716985 0.87 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL6823930 0.87 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL7490549 0.83 CXCR2 (0.67) CXCR2CXCR1MEN1KMT2ACX3CR1
SCHEMBL7492139 0.78 CXCR2 (0.77) CXCR2CXCR1CX3CR1ALDH1A1
SCHEMBL7487864 0.76 CXCR2 (0.61) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL3706591 0.76 CXCR2 (0.73) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL6822942 0.76 CXCR2 (0.73) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL7491596 0.75 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL31061375 0.75 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ATDP1

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-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 EP disclosed
EP-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP disclosed
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed