SCHEMBL1933711

SCHEMBL1933711

Nn1nc(C2CCCCC2)c2ccccc2c1=O.O=c1[nH]nc(C2CCCCC2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.42
ATM Q13315 2/20 0.41
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 1/20 0.40
PARP1 P09874 2/20 0.38
ROCK2 O75116 3/20 0.38
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ENPP1 P22413 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL1933205 0.96 PRMT5 (0.38) CHRNA7ATMPRMT5WDR77PARP1
SCHEMBL1786982 0.88 ATM (0.50) CHRNA7ATMPARP1DRD1DRD5
SCHEMBL1789276 0.87 ATM (0.48) CHRNA7ATMPARP1SMN1; SMN2
SCHEMBL1790181 0.85 PRMT5 (0.47) ATMPRMT5WDR77PARP1ROCK2
SCHEMBL1791199 0.84 CHRNA7 (0.44) CHRNA7ATMPARP1
SCHEMBL1786994 0.84 PRMT5 (0.48) ATMPRMT5WDR77PARP1ROCK2
SCHEMBL1785783 0.81 CHRNA7 (0.41) CHRNA7ATMPARP1SMN1; SMN2
SCHEMBL1786583 0.81 ATM (0.47) ATMPRMT5WDR77PARP1ROCK2
SCHEMBL1789261 0.78 ATM (0.50) ATMPRMT5PARP1ROCK2NPSR1
SCHEMBL19902284 0.74 PRMT5 (0.45) ATMPRMT5WDR77PARP1ROCK2

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
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 WO disclosed