SCHEMBL7490952

SCHEMBL7490952

Cc1sccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O.O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1cccc(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
MEN1 O00255 5/20 0.54
CXCR1 P25024 2/20 0.54
CXCR2 P25025 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAPK14 Q16539 3/20 0.48
MAPT P10636 6/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
RORC P51449 1/20 0.45
KCNMA1 Q12791 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.43
DDX3X O00571 1/20 0.43
TRPV1 Q8NER1 2/20 0.43

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
SCHEMBL3706043 0.89 CXCR1 (0.61) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL3711422 0.88 CXCR2 (0.67) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL6820181 0.82 KMT2A (0.59) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL7490940 0.81 MAPT (0.68) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL3716989 0.80 CXCR2 (0.64) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL7490611 0.80 MEN1 (0.52) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL3706835 0.79 KMT2A (0.74) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL6825964 0.78 KMT2A (0.56) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL5595057 0.77 CXCR1 (0.60) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL3707203 0.76 KMT2A (0.60) KMT2AMEN1CXCR1CXCR2TDP1

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-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed