SCHEMBL5249670

SCHEMBL5249670

O=[N+]([O-])c1ccc(-c2ncc[nH]2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
HSP90AA1 P07900 1/20 0.47
AGTR1 P30556 1/20 0.47
RAB9A P51151 1/20 0.47
ADORA2B P29275 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GPR35 Q9HC97 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL8539529 0.84 GPR35 (0.49) MAPTMEN1KMT2ANPC1HSP90AA1
SCHEMBL8540776 0.83 AMY1A (0.48) MAPTMEN1KMT2ANPC1HSP90AA1
SCHEMBL8540810 0.83 TSHR (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL31463535 0.83 AMY1A (0.48) MAPTMEN1KMT2ANPC1HSP90AA1
SCHEMBL8537593 0.83 GSK3B (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8536034 0.83 ESR1 (0.43) MAPTMEN1KMT2ANPC1HSP90AA1
SCHEMBL5747525 0.83 MEN1 (0.46) MAPTMEN1KMT2ANPC1HSP90AA1
SCHEMBL5528175 0.83 S100A4 (0.46) MAPTMEN1KMT2ANPC1HSP90AA1
SCHEMBL10680334 0.82 MAPT (0.39) MAPTMEN1KMT2ANPC1HSP90AA1
SCHEMBL4055359 0.82 HSD17B10 (0.49) MAPTMEN1KMT2ANPC1HSP90AA1

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-1546157-A4 PHENYL-AZA-BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2007-02-28 EP disclosed
EP-1546157-A2 PHENYL-AZA-BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION Avanir Pharmaceuticals (US) 2005-06-29 EP disclosed
WO-2004024897-A2 PHENYL-AZA-BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2004-03-25 WO disclosed