SCHEMBL6921874

SCHEMBL6921874

O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br.O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 6/20 1.00
CXCR1 P25024 5/20 1.00
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
TDP1 Q9NUW8 1/20 1.00
HDAC6 Q9UBN7 1/20 1.00
KCNMA1 Q12791 1/20 0.60
TP53 P04637 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 4/20 0.53
NPC1 O15118 3/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
RAB9A P51151 2/20 0.53
MAPK1 P28482 1/20 0.53
RORC P51449 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL1110610 1.00 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL29733649 1.00 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL29493172 1.00 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL7539552 0.90 CXCR2 (0.80) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL3708178 0.88 CXCR2 (0.79) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL5595104 0.87 CXCR1 (0.80) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL5594608 0.86 CXCR2 (0.76) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL7493083 0.86 CXCR2 (0.74) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL7487760 0.85 CXCR2 (0.72) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL3706835 0.85 KMT2A (0.74) 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