SCHEMBL6823646

SCHEMBL6823646

CCOc1ccccc1N(C(N)=O)c1ccc([N+](=O)[O-])cc1O.CCOc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 3/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.45
GAA P10253 3/20 0.43
PPIA P62937 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
KCNMA1 Q12791 1/20 0.41

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
SCHEMBL5594899 0.87 KMT2A (0.63) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL6823411 0.79 KMT2A (0.53) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL27587733 0.78 MAPT (0.48) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL27587741 0.77 CYP19A1 (0.51) KMT2AMEN1MAPTALDH1A1PPIA
SCHEMBL27587708 0.77 PKM (0.50) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL7489708 0.76 ALDH1A1 (0.41) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL7549869 0.76 MEN1 (0.62) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL3710415 0.75 KMT2A (0.68) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL6820169 0.75 KMT2A (0.68) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL28752712 0.75 KMT2A (0.43) KMT2AMEN1TDP1MAPTALDH1A1

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