SCHEMBL5312078

SCHEMBL5312078

Nc1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.56
▸ NPC1 O15118 7/20 0.56
▸ RAB9A P51151 6/20 0.56
▸ HTT P42858 5/20 0.56
▸ MMP2 P08253 4/20 0.56
▸ MMP9 P14780 4/20 0.56
▸ MMP8 P22894 4/20 0.56
▸ MMP13 P45452 3/20 0.56
▸ CASP3 P42574 2/20 0.56
▸ SENP8 Q96LD8 2/20 0.56
▸ SENP7 Q9BQF6 2/20 0.56
▸ SENP6 Q9GZR1 2/20 0.56
▸ NPBWR1 P48145 9/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ NFKB1 P19838 3/20 0.54
▸ NFKB2 Q00653 3/20 0.54
▸ RELA Q04206 3/20 0.54
▸ POLB P06746 1/20 0.54
▸ PARP1 P09874 1/20 0.50
▸ F7 P08709 1/20 0.49

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
SCHEMBL5304507 1.00 MAPT (0.56) MAPTNPC1RAB9AHTTMMP2
SCHEMBL31410714 0.80 MEN1 (0.53) MAPTNPC1RAB9AHTTMMP2
SCHEMBL6477396 0.77 KDM4E (0.50) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL2624470 0.77 MMP2 (0.63) MAPTNPC1RAB9AHTTMMP2
SCHEMBL31154234 0.76 NPBWR1 (0.71) MAPTNPC1RAB9AHTTMMP2
SCHEMBL29026603 0.76 NPBWR1 (0.71) MAPTNPC1RAB9AHTTMMP2
SCHEMBL20982681 0.75 NPC1 (0.73) MAPTNPC1RAB9AHTTMMP2
SCHEMBL5566197 0.75 NPC1 (0.78) MAPTNPC1RAB9AHTTMMP2
SCHEMBL5252747 0.74 NPC1 (0.63) MAPTNPC1RAB9AHTTMMP2
SCHEMBL10172964 0.73 NPBWR1 (0.80) MAPTNPC1RAB9AHTTMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256287-B2 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-08-14 — — US disclosed
US-7256287-B2 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-08-14 — — US disclosed
US-7256287-B2 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-08-14 — — US disclosed
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
US-20040116466-A1 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS 2004-06-17 — — US disclosed
WO-2004024897-A2 PHENYL-AZA-BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2004-03-25 — — WO disclosed
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