SCHEMBL7303310

SCHEMBL7303310

O=[N+]([O-])c1ccccc1Nc1cccc(I)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.68
MAPK1 P28482 3/20 0.68
ALDH1A1 P00352 3/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
CASP7 P55210 1/20 0.68
MAPT P10636 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
GAA P10253 3/20 0.56
PKM P14618 1/20 0.56
EPAS1 Q99814 1/20 0.52
HCAR3 P49019 1/20 0.48
POLB P06746 2/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
LRRK2 Q5S007 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL7167600 0.89 TDP1 (0.79) TDP1MAPK1ALDH1A1L3MBTL1CASP7
SCHEMBL26468007 0.87 TDP1 (0.77) TDP1MAPK1ALDH1A1L3MBTL1CASP7
SCHEMBL7168043 0.84 TDP1 (0.72) TDP1MAPK1ALDH1A1L3MBTL1CASP7
SCHEMBL7395072 0.82 MAPK1 (0.74) TDP1MAPK1ALDH1A1L3MBTL1CASP7
SCHEMBL31333098 0.81 TDP1 (1.00) TDP1MAPK1ALDH1A1L3MBTL1CASP7
SCHEMBL230292 0.81 TDP1 (1.00) TDP1MAPK1ALDH1A1L3MBTL1CASP7
SCHEMBL11514743 0.81 TDP1 (0.68) TDP1MAPK1ALDH1A1L3MBTL1CASP7
SCHEMBL4942171 0.81 ALDH1A1 (0.68) TDP1MAPK1ALDH1A1L3MBTL1CASP7
SCHEMBL4057290 0.81 L3MBTL1 (0.68) TDP1MAPK1ALDH1A1L3MBTL1CASP7
SCHEMBL4063056 0.81 TDP1 (0.68) TDP1MAPK1ALDH1A1L3MBTL1CASP7

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-0604353-B1 Benzimidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1998-07-01 EP disclosed
US-5441969-A Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1995-08-15 US disclosed
EP-0604353-A1 Benzimidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1994-06-29 EP disclosed