SCHEMBL3978658

SCHEMBL3978658

O=C(Nc1ccc([N+](=O)[O-])cc1)C(Cl)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.59
MEN1 O00255 9/20 0.59
GAA P10253 2/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP14 P50281 1/20 0.51
TGM2 P21980 1/20 0.51
MAPT P10636 6/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
NPC1 O15118 3/20 0.50
POLB P06746 3/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 2/20 0.50
NAMPT P43490 1/20 0.50
MITF O75030 1/20 0.50

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
SCHEMBL29194039 0.85 MEN1 (0.65) KMT2AMEN1GAATGM2MAPT
SCHEMBL3972854 0.79 KMT2A (0.63) KMT2AMEN1CA12CA1MMP2
SCHEMBL13176981 0.78 KMT2A (0.56) KMT2AMEN1GAACA12CA1
SCHEMBL9818963 0.78 MEN1 (0.56) KMT2AMEN1GAAMMP14TGM2
SCHEMBL6918119 0.78 MAPT (0.70) KMT2AMEN1GAACA12CA1
SCHEMBL29111764 0.77 KMT2A (0.62) KMT2AMEN1GAATGM2MAPT
SCHEMBL29111851 0.77 KMT2A (0.62) KMT2AMEN1GAATGM2MAPT
SCHEMBL29111760 0.77 KMT2A (0.62) KMT2AMEN1GAATGM2MAPT
SCHEMBL14482263 0.76 LMNA (0.60) KMT2AMEN1GAAMAPTLMNA
SCHEMBL27798641 0.76 KMT2A (0.56) KMT2AMEN1GAAMAPTLMNA

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-1907385-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
EP-1907385-A2 COMPOUNDS SmithKline Beecham Corporation (US) 2008-04-09 EP disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed