SCHEMBL5735971

SCHEMBL5735971

ClCCCOc1ccc2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
CYSLTR2 Q9NS75 3/20 0.42
CYSLTR1 Q9Y271 3/20 0.42
TLR8 Q9NR97 4/20 0.41
PDE10A Q9Y233 1/20 0.40
NCF1 P14598 1/20 0.39
NOS2 P35228 1/20 0.39
BACE1 P56817 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CYP1A2 P05177 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL8067767 0.95 MEN1 (0.59) MEN1MAPTKMT2ACYSLTR2CYSLTR1
SCHEMBL9191454 0.86 MAPT (0.51) MEN1MAPTKMT2ACYSLTR2CYSLTR1
SCHEMBL9199234 0.85 MEN1 (0.61) MEN1MAPTKMT2ACYSLTR2CYSLTR1
SCHEMBL7697138 0.85 KMT2A (0.56) MEN1MAPTKMT2ACYSLTR2CYSLTR1
SCHEMBL30704390 0.84 MEN1 (0.59) MEN1MAPTKMT2ACYSLTR2CYSLTR1
SCHEMBL4273391 0.84 MAPT (0.59) MEN1MAPTKMT2ACYSLTR2CYSLTR1
SCHEMBL368050 0.82 TLR8 (0.59) MEN1MAPTKMT2ACYSLTR2CYSLTR1
SCHEMBL28900531 0.82 MEN1 (0.58) MEN1MAPTKMT2ACYSLTR2CYSLTR1
SCHEMBL9663555 0.81 MAPT (0.61) MEN1MAPTKMT2ACYSLTR2CYSLTR1
SCHEMBL30060467 0.81 MEN1 (0.61) MEN1MAPTKMT2ACYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178967-B1 QUINOLINE DERIVATIVES AS INHIBITORS OF MEK ENZYMES ASTRAZENECA AB (SE) 2006-03-08 EP disclosed
EP-1584619-A1 Derivatives of quinoline as inhibitors for MEK AstraZeneca AB (SE) 2005-10-12 EP disclosed
EP-1178967-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF MEK ENZYMES AstraZeneca AB (SE) 2002-02-13 EP disclosed
WO-2000068201-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF MEK ENZYMES ASTRAZENECA AB (SE) 2000-11-16 WO disclosed