SCHEMBL5251968

SCHEMBL5251968

O=[N+]([O-])c1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.59
MAPT P10636 6/20 0.59
RAB9A P51151 6/20 0.59
MMP2 P08253 4/20 0.59
MMP9 P14780 4/20 0.59
MMP8 P22894 4/20 0.59
HTT P42858 4/20 0.59
MMP13 P45452 3/20 0.59
CASP3 P42574 2/20 0.59
SENP8 Q96LD8 2/20 0.59
SENP7 Q9BQF6 2/20 0.59
SENP6 Q9GZR1 2/20 0.59
NPBWR1 P48145 12/20 0.54
GUSB P08236 2/20 0.52
TNKS O95271 1/20 0.52
NLRP3 Q96P20 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
NFKB1 P19838 3/20 0.51

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
SCHEMBL984215 0.91 MAPT (0.49) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL987496 0.91 NPBWR1 (0.61) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL986061 0.91 MMP13 (0.57) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL987534 0.91 NPBWR1 (0.61) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL984422 0.90 RAB9A (0.59) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL988049 0.89 NPC1 (0.60) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL4833915 0.88 MMP2 (0.61) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL986443 0.87 NPC1 (0.46) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL984150 0.87 NPC1 (0.63) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL2977857 0.87 ALOX5 (0.48) NPC1MAPTRAB9AMMP2MMP9

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