SCHEMBL9682836

SCHEMBL9682836

Cc1nccc(Cl)c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DYRK1A Q13627 1/20 0.43
HPD P32754 1/20 0.43
MAOA P21397 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PRMT5 O14744 1/20 0.42
STAT3 P40763 1/20 0.42

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
Hydrochloric Acid SCHEMBL10371366 0.98 LMNA (0.44) LMNAPOLBGAAL3MBTL1MAPT
SCHEMBL17597879 0.83 POLB (0.45) LMNAPOLBGAAHPDALOX5AP
SCHEMBL4898749 0.81 L3MBTL1 (0.53) LMNAPOLBGAAL3MBTL1MAPT
SCHEMBL9682831 0.81 HTR1A (0.44) LMNAPOLBGAAL3MBTL1MAPK1
SCHEMBL23209324 0.80 LTA4H (0.54) LMNAPOLBGAAL3MBTL1MAPT
SCHEMBL4149747 0.80 LMNA (0.48) LMNAPOLBGAAL3MBTL1MAPT
SCHEMBL5583648 0.79 BCHE (0.50) LMNAGAAL3MBTL1MAPTMAPK1
SCHEMBL6035640 0.78 LMNA (0.43) LMNAPOLBGAAL3MBTL1MAPT
SCHEMBL20091295 0.77 HPD (0.56) LMNAPOLBGAAL3MBTL1MAPT
SCHEMBL4573388 0.77 ALDH1A1 (0.40) GAAL3MBTL1MAPTMAPK1TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1126203-A Substituted heterocyclic carboxamides, their preparation and their use as pharmaceuticals HOECHST AG (DE) 1996-07-10 CN disclosed
WO-1992013841-A1 COMPLEXING AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-20 WO disclosed
EP-0498380-A1 Complexing agents BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-12 EP disclosed
EP-0390842-A1 NOVEL BENZIMIDAZOLE DERIVATIVES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1990-10-10 EP disclosed
WO-1989005299-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1989-06-15 WO disclosed