SCHEMBL7539552

SCHEMBL7539552

O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br.O=C(Nc1cccc(Br)c1)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 6/20 0.80
CXCR1 P25024 5/20 0.80
MEN1 O00255 5/20 0.80
KMT2A Q03164 5/20 0.80
TDP1 Q9NUW8 1/20 0.80
HDAC6 Q9UBN7 1/20 0.80
DDX3X O00571 2/20 0.54
HTT P42858 3/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TRPV1 Q8NER1 2/20 0.50
RAB9A P51151 2/20 0.50
KCNMA1 Q12791 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48

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
SCHEMBL5595006 0.93 CXCR1 (0.74) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL29733649 0.90 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL1110610 0.90 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL6921874 0.90 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL29493172 0.90 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL5594608 0.82 CXCR2 (0.76) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL31222305 0.82 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL5595180 0.82 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ATDP1
SCHEMBL11846997 0.82 RAB9A (0.73) CXCR2CXCR1MEN1KMT2ADDX3X
SCHEMBL7493083 0.81 CXCR2 (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-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP 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