SCHEMBL6824044

SCHEMBL6824044

O=C(Nc1ccncc1)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.76
CXCR2 P25025 3/20 0.76
KMT2A Q03164 6/20 0.61
MEN1 O00255 5/20 0.61
TDP1 Q9NUW8 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
RAF1 P04049 1/20 0.58
MAPK1 P28482 3/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KCNMA1 Q12791 1/20 0.53
MAPT P10636 5/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52

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
SCHEMBL5595009 0.89 CXCR1 (0.84) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL5595104 0.87 CXCR1 (0.80) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL31222305 0.86 CXCR2 (1.00) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL5595180 0.86 CXCR2 (1.00) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL14514332 0.85 KMT2A (0.64) CXCR1CXCR2KMT2AMEN1RAF1
SCHEMBL6820541 0.85 CXCR1 (0.73) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL6823571 0.85 CXCR1 (0.73) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL6824074 0.84 CXCR1 (0.76) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL5595137 0.84 CXCR1 (0.76) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL5595105 0.83 CXCR1 (0.70) CXCR1CXCR2KMT2AMEN1TDP1

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-1194143-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-04 EP disclosed
EP-1194143-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-10 EP disclosed
WO-2000076457-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0907362-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-12-01 EP disclosed
EP-0907362-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-14 EP disclosed
WO-1997049399-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed