SCHEMBL4683576

SCHEMBL4683576

N#CNC(=N)Nc1ccc(C(F)(F)F)nc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 11/20 0.45
USP30 Q70CQ3 2/20 0.44
TRPV1 Q8NER1 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
AR P10275 3/20 0.37
CYP2C9 P11712 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
SLC22A11 Q9NSA0 1/20 0.37

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
SCHEMBL4684017 0.80 KCNJ11 (0.42) KCNJ11AR
SCHEMBL4683462 0.77 KCNQ3 (0.45) KCNJ11
SCHEMBL8854243 0.75 ABCC9 (0.40) KCNJ11CYP2C9
SCHEMBL4678745 0.73 KDM4E (0.52) KCNJ11
SCHEMBL18172150 0.72 USP30 (0.60) KCNJ11USP30TRPV1AR
SCHEMBL4683574 0.72 USP30 (0.43) KCNJ11USP30TRPV1TRPV4AR
SCHEMBL4683571 0.72 USP30 (0.43) KCNJ11USP30TRPV1TRPV4AR
SCHEMBL29585632 0.71 TRPV1 (0.49) KCNJ11USP30TRPV1TRPV4CLK2
SCHEMBL2225852 0.71 TRPV1 (0.49) KCNJ11USP30TRPV1TRPV4CLK2
SCHEMBL10383508 0.71 AR (0.46) TRPV1ARSLC22A12

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
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed