SCHEMBL6824079

SCHEMBL6824079

CCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O.CCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
CXCR1 P25024 3/20 0.69
CXCR2 P25025 3/20 0.69
TDP1 Q9NUW8 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
RORC P51449 1/20 0.60
MAPT P10636 5/20 0.60
KCNMA1 Q12791 1/20 0.57
LMNA P02545 3/20 0.54
HTT P42858 1/20 0.54
PKM P14618 1/20 0.52
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HSP90AA1 P07900 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NR3C1 P04150 1/20 0.49

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
SCHEMBL5594986 1.00 MEN1 (0.69) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL7485664 0.86 CXCR1 (0.67) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL7488285 0.85 CXCR1 (0.66) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5595115 0.85 MEN1 (0.63) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5595104 0.85 CXCR1 (0.80) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5594962 0.84 MEN1 (0.72) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL7488086 0.83 CXCR1 (0.63) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL27558243 0.83 CXCR2 (0.61) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL7487951 0.83 CXCR1 (0.63) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5594899 0.83 KMT2A (0.63) MEN1KMT2ACXCR1CXCR2TDP1

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