SCHEMBL12834752

SCHEMBL12834752

C#CCSC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.42
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
KIF11 P52732 12/20 0.40
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TBXA2R P21731 1/20 0.36
CCKBR P32239 1/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL1508051 0.86 KCNN4 (0.41) KCNN4KCNE1KCNQ1KIF11MLNR
SCHEMBL14229524 0.81 KCNN4 (0.47) KCNN4KCNE1KCNQ1KIF11MLNR
SCHEMBL1508053 0.78 KCNN4 (0.50) KCNN4KCNE1KCNQ1KIF11MLNR
SCHEMBL1508111 0.76 KCNN4 (0.51) KCNN4KCNE1KCNQ1KIF11MLNR
SCHEMBL1507860 0.75 KCNN4 (0.56) KCNN4KCNE1KCNQ1KIF11
SCHEMBL1508118 0.75 KCNN4 (0.49) KCNN4KCNE1KCNQ1KIF11MLNR
SCHEMBL14229961 0.75 KCNN4 (0.49) KCNN4KCNE1KCNQ1KIF11MLNR
SCHEMBL5434711 0.73 KCNN4 (0.40) KCNN4KCNE1KCNQ1KIF11MLNR
SCHEMBL12834748 0.73 KCNN4 (0.54) KCNN4KCNE1KCNQ1KIF11
SCHEMBL1507917 0.70 KCNN4 (0.44) KCNN4KCNE1KCNQ1KIF11NPSR1

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-2292595-A1 Potassium channel modulators NeuroSearch AS (DK) 2011-03-09 EP disclosed