SCHEMBL6823571

SCHEMBL6823571

O=C(Nc1cccnc1)Nc1ccc([N+](=O)[O-])cc1O.O=C(Nc1cccnc1)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.73
CXCR2 P25025 3/20 0.73
KMT2A Q03164 9/20 0.72
MEN1 O00255 6/20 0.71
TDP1 Q9NUW8 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
CYP11B1 P15538 1/20 0.58
CYP11B2 P19099 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.55
HTT P42858 3/20 0.54
MAPT P10636 5/20 0.54
POLB P06746 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KCNMA1 Q12791 1/20 0.52
LMNA P02545 1/20 0.52
ATM Q13315 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 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
SCHEMBL6820541 1.00 CXCR1 (0.73) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL6823466 0.85 KMT2A (0.55) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL6824044 0.85 CXCR1 (0.76) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL5595180 0.84 CXCR2 (1.00) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL31222305 0.84 CXCR2 (1.00) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL3180203 0.83 KMT2A (1.00) KMT2AMEN1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL8373850 0.83 KMT2A (0.75) KMT2AMEN1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL5595104 0.83 CXCR1 (0.80) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL5595009 0.82 CXCR1 (0.84) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL18013179 0.79 TRPV1 (0.76) 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 3 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