SCHEMBL28067348

SCHEMBL28067348

C1=CC=CCC=C1.C1=Cc2ccccc2NC=N1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PLAU P00749 1/20 0.33

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
SCHEMBL3632795 0.86 GAA (0.44) GAAMAPTPLAU
Hydrochloric Acid SCHEMBL10587181 0.83 GAA (0.41) GAAMAPTPLAU
SCHEMBL10612156 0.77 GAA (0.34) GAAMAPTPLAU
Cyclopentanol SCHEMBL27502970 0.75 GAA (0.32) GAAMAPTPLAU
SCHEMBL27593173 0.75 GAA (0.38) GAAMAPT
Nitric Acid SCHEMBL27678209 0.74 MAPT (0.34) GAAMAPT
Benzodiazepine SCHEMBL27510573 0.69 GAA (0.35) GAAMAPT
SCHEMBL4125447 0.67 PLAU (0.39) GAAMAPTPLAU
SCHEMBL27960628 0.66 GAA (0.31) GAAMAPT
SCHEMBL1808701 0.64 GAA (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105492436-A Substituted phenyl-2,3-benzodiazepines Bayer Pharma AG 2016-04-13 CN disclosed