SCHEMBL6921876

SCHEMBL6921876

O=C(Nc1ccccc1Br)N(c1ccc([N+](=O)[O-])cc1O)N(C(=O)Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.66
CXCR1 P25024 5/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
TDP1 Q9NUW8 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
GAA P10253 3/20 0.49
TP53 P04637 1/20 0.49
KCNMA1 Q12791 2/20 0.46
RORC P51449 1/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PABPC1 P11940 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
EIF4H Q15056 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7539557 0.91 KMT2A (0.55) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL6920949 0.83 ALDH1A1 (0.56) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL6824084 0.83 RORC (0.56) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL6820172 0.82 MEN1 (0.59) MEN1KMT2AGAAKCNMA1RORC
SCHEMBL7489294 0.81 KMT2A (0.51) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL6824070 0.80 MEN1 (0.54) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL6823879 0.80 AKR1C3 (0.44) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL6921874 0.80 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL29493172 0.80 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL29733649 0.80 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 3 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-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