SCHEMBL8799465

SCHEMBL8799465

C1=CNc2ccccc2C=[N+]1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX5 P09917 1/20 0.30

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
SCHEMBL3402020 0.67 GAA (0.39) GAAMAPT
SCHEMBL34259 0.65 GAA (0.48) GAAMAPT
SCHEMBL1996673 0.65 MAPT (0.38) GAAMAPTALOX5
SCHEMBL29848588 0.65 MAPT (0.38) GAAMAPTALOX5
SCHEMBL3531045 0.64
Iodide SCHEMBL12466756 0.64 GAA (0.46) GAAMAPT
SCHEMBL8654087 0.64 GAA (0.46) GAAMAPT
Bromide SCHEMBL10654286 0.64 GAA (0.46) GAAMAPT
Hydrochloric Acid SCHEMBL160640 0.64 GAA (0.46) GAAMAPT
Water SCHEMBL4672877 0.64 GAA (0.46) GAAMAPT

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-0730596-A4 BENZODIAZEPINES MERCK & CO INC (US) 1997-07-30 EP disclosed
EP-0730596-A1 BENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 EP disclosed
WO-1995014694-A1 BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed