SCHEMBL1933205

SCHEMBL1933205

Nn1nc(C2CCC2)c2ccccc2c1=O.O=c1[nH]nc(C2CCC2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 1/20 0.38
CHRNA7 P36544 2/20 0.38
ATM Q13315 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ROCK2 O75116 4/20 0.36
ROCK1 Q13464 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PARP1 P09874 2/20 0.36
AR P10275 1/20 0.36
ENPP1 P22413 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1933711 0.96 CHRNA7 (0.42) PRMT5WDR77CHRNA7ATMNPSR1
SCHEMBL1791199 0.88 CHRNA7 (0.44) CHRNA7ATMALDH1A1CYP1A2CYP3A4
SCHEMBL1789276 0.85 ATM (0.48) CHRNA7ATMALDH1A1CYP1A2CYP3A4
SCHEMBL1786583 0.85 ATM (0.47) PRMT5WDR77ATMNPSR1ROCK2
SCHEMBL1786982 0.84 ATM (0.50) CHRNA7ATMALDH1A1CYP1A2CYP3A4
SCHEMBL1786994 0.82 PRMT5 (0.48) PRMT5WDR77ATMNPSR1ROCK2
SCHEMBL1785783 0.82 CHRNA7 (0.41) CHRNA7ATMALDH1A1PARP1KDM4E
SCHEMBL1790181 0.81 PRMT5 (0.47) PRMT5WDR77ATMNPSR1ROCK2
SCHEMBL1789261 0.79 ATM (0.50) PRMT5ATMNPSR1ROCK2ROCK1
SCHEMBL19902284 0.76 PRMT5 (0.45) PRMT5WDR77ATMNPSR1ROCK2

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