SCHEMBL3928478

SCHEMBL3928478

CCOC(=O)CCCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
KCNQ4 P56696 1/20 0.47
KCNQ5 Q9NR82 1/20 0.47
CYP4Z1 Q86W10 2/20 0.46
CYP4F11 Q9HBI6 1/20 0.46
CYP4F12 Q9HCS2 1/20 0.46
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
ALOX5 P09917 1/20 0.44
SYK P43405 2/20 0.43
MAPK1 P28482 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DAO P14920 1/20 0.41

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
SCHEMBL31067871 0.92 CYP4F2 (0.54) KCNQ3KCNQ2KCNQ4KCNQ5CYP4Z1
SCHEMBL25245034 0.92 CYP4F2 (0.54) KCNQ3KCNQ2KCNQ4KCNQ5CYP4Z1
SCHEMBL3587496 0.83 KCNQ3 (0.50) KCNQ3KCNQ2KCNQ4KCNQ5CYP4Z1
SCHEMBL2743461 0.81 NPC1 (0.44) KCNQ3KCNQ2KCNQ4KCNQ5SYK
SCHEMBL30426996 0.80 PLAAT3 (0.50) PLAAT3PLAAT5PLAAT2PLAAT4MAPK1
SCHEMBL4853179 0.80 PLAAT3 (0.47) KCNQ3KCNQ2KCNQ4KCNQ5PLAAT3
SCHEMBL3938190 0.80 PLAAT3 (0.50) PLAAT3PLAAT5PLAAT2PLAAT4MAPK1
SCHEMBL21069038 0.78 CYP4F2 (0.50) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL29852322 0.78 TDP1 (0.67) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL13301958 0.78 KCNQ3 (0.53) KCNQ3KCNQ2KCNQ4KCNQ5SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed