SCHEMBL6825964

SCHEMBL6825964

NC(=O)Nc1cccc(Cl)c1Cl.O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
CXCR2 P25025 4/20 0.56
CXCR1 P25024 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MAPT P10636 4/20 0.55
NPC1 O15118 2/20 0.55
MAPK1 P28482 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
AURKA O14965 1/20 0.52
PDPK1 O15530 1/20 0.52
JAK2 O60674 1/20 0.52
GMNN O75496 1/20 0.52
EGFR P00533 1/20 0.52
TP53 P04637 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
SCHEMBL6820181 0.95 KMT2A (0.59) KMT2AMEN1CXCR2CXCR1TDP1
SCHEMBL3711422 0.88 CXCR2 (0.67) KMT2AMEN1CXCR2CXCR1TDP1
SCHEMBL5594945 0.87 KMT2A (0.65) KMT2AMEN1CXCR2CXCR1TDP1
SCHEMBL3706835 0.83 KMT2A (0.74) KMT2AMEN1CXCR2CXCR1TDP1
SCHEMBL7490940 0.81 MAPT (0.68) KMT2AMEN1CXCR2CXCR1TDP1
SCHEMBL3716989 0.80 CXCR2 (0.64) KMT2AMEN1CXCR2CXCR1TDP1
SCHEMBL5605030 0.79 CXCR1 (0.62) KMT2AMEN1CXCR2CXCR1TDP1
SCHEMBL31054245 0.78 MAPT (0.80) KMT2AMEN1CXCR2CXCR1TDP1
SCHEMBL5987164 0.78 CXCR1 (0.67) KMT2AMEN1CXCR2CXCR1TDP1
SCHEMBL29968760 0.78 CXCR1 (0.67) KMT2AMEN1CXCR2CXCR1TDP1

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