SCHEMBL14439825

SCHEMBL14439825

O=C(O)c1cc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.62
MAPT P10636 6/20 0.62
RAB9A P51151 6/20 0.62
MMP2 P08253 4/20 0.62
MMP9 P14780 4/20 0.62
MMP8 P22894 4/20 0.62
HTT P42858 4/20 0.62
MMP13 P45452 3/20 0.62
CASP3 P42574 2/20 0.62
SENP8 Q96LD8 2/20 0.62
SENP7 Q9BQF6 2/20 0.62
SENP6 Q9GZR1 2/20 0.62
CHEK2 O96017 3/20 0.59
NPBWR1 P48145 11/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
NFKB1 P19838 3/20 0.54
NFKB2 Q00653 3/20 0.54
RELA Q04206 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54

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
SCHEMBL5217725 0.80 CHEK2 (0.87) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL14439820 0.78 CHEK2 (0.56) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL5221558 0.78 NPBWR1 (0.80) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL5217712 0.78 CHEK2 (0.71) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL5566191 0.77 NPC1 (1.00) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL19994493 0.76 CHEK2 (0.69) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL20982761 0.76 NPC1 (0.97) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL5298807 0.76 CHEK2 (0.59) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL3195153 0.75 CHEK2 (0.65) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL20982700 0.74 NPC1 (0.94) 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 1 patent. 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