SCHEMBL5766530

SCHEMBL5766530

O=[N+]([O-])c1nc(-c2ccccc2)c([N+](=O)[O-])[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 4/20 0.44
MAPT P10636 5/20 0.42
HPGD P15428 3/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPBWR1 P48145 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 4/20 0.40
OPRK1 P41145 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL11730856 0.84 MAPT (0.50) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL29105518 0.84 SMN1; SMN2 (0.56) KMT2AMEN1MAPTHPGDABCC8
SCHEMBL11730178 0.76 NPBWR1 (0.51) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL21683243 0.71 POLB (0.61) KMT2AMEN1MAPTHPGDABCC8
SCHEMBL1260158 0.71 MAPT (0.45) KMT2AMEN1MAPTHPGDABCC8
SCHEMBL9555768 0.70 MAPT (0.50) KMT2AMEN1MAPTHPGDABCC1
SCHEMBL11624251 0.69 HPGD (0.50) KMT2AMEN1MAPTHPGDABCC8
SCHEMBL11276224 0.68 MAPK14 (0.57) KMT2AHPGDSMN1; SMN2KDM4ENPSR1
SCHEMBL11268832 0.66 MAPK11 (0.59) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL5242265 0.66 KMT2A (0.49) KMT2AMEN1MAPTHPGDABCC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613612-A2 BIOREDUCTIVELY-ACTIVATED PRODRUGS Angiogene Pharmaceuticals Limited (GB) 2006-01-11 EP disclosed
WO-2004085421-A2 BIOREDUCTIVELY-ACTIVATED PRODRUGS ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2004-10-07 WO disclosed