SCHEMBL6126263

SCHEMBL6126263

COc1cc(CC(=O)Nc2nn3cccnc3c2-c2ccc(Cl)cc2)cc(OC)c1.COc1cc(CC(=O)O)cc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 13/20 0.50
KCNQ2 O43526 13/20 0.50
RIOK2 Q9BVS4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA2A P29274 1/20 0.39
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
ZAP70 P43403 1/20 0.38
KARS1 Q15046 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL3698144 0.96 KCNQ3 (0.53) KCNQ3KCNQ2RIOK2L3MBTL1CYP3A4
SCHEMBL6126605 0.86 KCNQ3 (0.50) KCNQ3KCNQ2RIOK2L3MBTL1CYP3A4
SCHEMBL3700529 0.84 KCNQ3 (0.58) KCNQ3KCNQ2
SCHEMBL6126265 0.82 KLK7 (0.45) KCNQ3KCNQ2
SCHEMBL3698754 0.82 KCNQ3 (0.53) KCNQ3KCNQ2RIOK2CYP3A4ADORA2A
SCHEMBL3704262 0.81 KCNQ3 (0.56) KCNQ3KCNQ2
SCHEMBL3702539 0.79 KCNQ3 (0.52) KCNQ3KCNQ2CYP3A4
SCHEMBL3703285 0.78 KCNQ3 (0.53) KCNQ3KCNQ2
SCHEMBL3703085 0.78 KCNQ3 (0.52) KCNQ3KCNQ2IRAK4
SCHEMBL3705629 0.77 KCNQ3 (0.55) KCNQ3KCNQ2CYP3A4

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-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed