SCHEMBL7750398

SCHEMBL7750398

Cn1c2ccc(Cl)cc2c2c(CC(=O)O)nn(-c3ccccc3)c(=O)c21

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.69
PLK4 O00444 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
AURKB Q96GD4 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL5702540 0.92 TSPO (0.81) TSPO
SCHEMBL7493872 0.89 TSPO (0.63) TSPOPLK4MAPK8MAPK9AURKB
SCHEMBL7750388 0.88 TSPO (0.56) TSPO
SCHEMBL7493004 0.87 TSPO (0.61) TSPO
SCHEMBL7496967 0.87 TSPO (0.60) TSPOPLK4MAPK8MAPK9AURKB
SCHEMBL7750505 0.87 TSPO (0.61) TSPO
SCHEMBL7497324 0.84 TSPO (0.57) TSPOPLK4MAPK8MAPK9AURKB
SCHEMBL7498096 0.84 TSPO (0.56) TSPOPLK4MAPK8MAPK9AURKB
SCHEMBL7496839 0.82 TSPO (0.82) TSPO
SCHEMBL7745876 0.82 MAOB (0.54) TSPO

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
US-6262045-B1 TREATMENT OF ANXIETY; SLEEP DISORDER; EPILEPSY; SPASTICITY; MUSCLE CONTRACTURE OR AN EXTRAPYRAMIDAL SYNDROM; INDUCING OR MAINTAINING ANAESTHESIA SANOFI-SYNTHELABO (FR) 2001-07-17 US disclosed