SCHEMBL8978467

SCHEMBL8978467

NCCNNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 3/20 0.51
MEN1 O00255 2/20 0.51
DDX3X O00571 1/20 0.51
HTT P42858 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 5/20 0.47
ALOX12 P18054 2/20 0.47
HPGD P15428 1/20 0.47
BLM P54132 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
MMP2 P08253 1/20 0.46

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
SCHEMBL5167952 0.84 MAPT (0.55) MAPTKMT2APOLBMEN1DDX3X
SCHEMBL28826075 0.84 ALDH1A1 (0.54) MAPTKMT2APOLBMEN1DDX3X
SCHEMBL8223354 0.84 MEN1 (0.54) MAPTKMT2APOLBMEN1DDX3X
SCHEMBL29780605 0.84 MEN1 (0.54) MAPTKMT2APOLBMEN1DDX3X
SCHEMBL27625427 0.81 MAPT (0.58) MAPTKMT2APOLBMEN1DDX3X
SCHEMBL10714890 0.80 MAPT (0.49) MAPTKMT2APOLBMEN1HTT
SCHEMBL16943226 0.76 MAPT (0.56) MAPTKMT2APOLBMEN1DDX3X
SCHEMBL9122352 0.75 KMT2A (0.59) MAPTKMT2APOLBMEN1DDX3X
SCHEMBL11775765 0.75 SMN1; SMN2 (0.60) MAPTKMT2APOLBMEN1DDX3X
SCHEMBL9371484 0.75 KMT2A (0.59) MAPTKMT2APOLBMEN1DDX3X

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-0708757-A1 BENZIMIDAZOLE-DERIVATIZED AZO COMPOUNDS AND POLYMERS DERIVED THEREFROM FOR NONLINEAR OPTICS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-01 EP disclosed
WO-1995002581-A1 BENZIMIDAZOLE-DERIVATIZED AZO COMPOUNDS AND POLYMERS DERIVED THEREFROM FOR NONLINEAR OPTICS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 WO disclosed
US-5321084-A Benzimidazole-derivatized azo compounds and polymers derived therefrom for nonlinear optics MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-06-14 US disclosed