SCHEMBL3972854

SCHEMBL3972854

O=C(Nc1cccc([N+](=O)[O-])c1)C(Cl)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.63
MEN1 O00255 6/20 0.63
MAPT P10636 4/20 0.63
POLB P06746 3/20 0.63
HTT P42858 2/20 0.63
DDX3X O00571 2/20 0.63
CTDSP1 Q9GZU7 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 6/20 0.57
BLM P54132 1/20 0.57
MAPK1 P28482 2/20 0.56
HSP90AA1 P07900 1/20 0.56
HPGD P15428 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NLRP1 Q9C000 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
MMP2 P08253 1/20 0.56

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
SCHEMBL27964933 0.87 KMT2A (0.69) KMT2AMEN1MAPTPOLBHTT
SCHEMBL6920322 0.85 CA12 (0.58) KMT2AMEN1MAPTPOLBHTT
SCHEMBL11215471 0.82 SMN1; SMN2 (0.67) KMT2AMEN1MAPTPOLBHTT
SCHEMBL3207627 0.81 KMT2A (0.78) KMT2AMEN1MAPTPOLBHTT
SCHEMBL11094992 0.80 MAPT (0.61) KMT2AMEN1MAPTPOLBHTT
SCHEMBL27582546 0.79 KMT2A (0.67) KMT2AMEN1MAPTPOLBHTT
SCHEMBL31185157 0.79 SMN1; SMN2 (0.68) KMT2AMEN1MAPTPOLBHTT
SCHEMBL3978658 0.79 KMT2A (0.59) KMT2AMEN1MAPTPOLBHTT
SCHEMBL27965271 0.79 CNR1 (0.64) KMT2AMEN1MAPTPOLBHTT
SCHEMBL11774149 0.79 KMT2A (0.75) KMT2AMEN1MAPTPOLBHTT

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