SCHEMBL6920946

SCHEMBL6920946

O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1-c1ccccc1.O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 4/20 0.72
CXCR2 P25025 4/20 0.72
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
TDP1 Q9NUW8 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
ALDH1A1 P00352 3/20 0.60
MYC P01106 1/20 0.60
MAX P61244 1/20 0.60
KCNMA1 Q12791 1/20 0.57
MAPT P10636 6/20 0.51
LMNA P02545 2/20 0.51
NPC1 O15118 2/20 0.51
HTT P42858 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL3715203 1.00 CXCR1 (0.72) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL5594774 0.90 CXCR2 (0.72) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL5595104 0.85 CXCR1 (0.80) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL5594999 0.85 CXCR2 (0.85) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL31222305 0.84 CXCR2 (1.00) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL5595180 0.84 CXCR2 (1.00) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7549187 0.83 CXCR2 (0.60) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL3706835 0.83 KMT2A (0.74) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL5595118 0.83 CXCR2 (0.74) CXCR1CXCR2MEN1KMT2ATDP1
SCHEMBL7488130 0.82 MEN1 (0.62) CXCR1CXCR2MEN1KMT2ATDP1

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