SCHEMBL7304083

SCHEMBL7304083

O=[N+]([O-])c1cc(I)ccc1Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.68
TDP1 Q9NUW8 4/20 0.65
MAPK1 P28482 4/20 0.65
ALDH1A1 P00352 3/20 0.65
CASP7 P55210 1/20 0.65
HCAR3 P49019 1/20 0.64
MAPT P10636 7/20 0.62
POLB P06746 1/20 0.62
WNK1 Q9H4A3 1/20 0.58
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
GFER P55789 2/20 0.51
MYC P01106 1/20 0.51
IDO1 P14902 1/20 0.51
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
AKR1B1 P15121 2/20 0.46
AKR1C4 P17516 2/20 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
SCHEMBL293916 0.82 MAPT (0.72) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL9943157 0.81 L3MBTL1 (0.70) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL4938163 0.81 L3MBTL1 (0.68) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL31026210 0.81 L3MBTL1 (0.68) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL108266 0.81 L3MBTL1 (0.68) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL5159865 0.81 L3MBTL1 (0.68) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL1337893 0.81 L3MBTL1 (0.68) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL337857 0.81 L3MBTL1 (0.68) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL1437915 0.81 HCAR3 (0.68) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL4943940 0.81 L3MBTL1 (1.00) L3MBTL1TDP1MAPK1ALDH1A1CASP7

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
EP-0604353-B1 Benzimidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1998-07-01 EP disclosed