SCHEMBL885203

SCHEMBL885203

COc1c(C)cc(-c2cc(F)ccc2C(Cc2cccnc2)c2cccnc2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.42
KCNH2 Q12809 5/20 0.42
ALDH1A1 P00352 1/20 0.42
PDE4A P27815 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
P2RX7 Q99572 1/20 0.36
CTSA P10619 3/20 0.36
CDK9 P50750 1/20 0.35
NAMPT P43490 1/20 0.35
GRM2 Q14416 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
SCHEMBL884639 0.84 KCNA5 (0.45) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL884656 0.84 KCNA5 (0.53) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL884569 0.84 KCNA5 (0.51) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL5038360 0.84 KCNA5 (0.48) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL2062960 0.83 KCNA5 (0.60) KCNA5KCNH2CTSA
SCHEMBL884718 0.83 KCNA5 (0.51) KCNA5KCNH2ALDH1A1PDE4APTGDR2
SCHEMBL5033715 0.83 KCNA5 (0.50) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL884457 0.82 KCNA5 (0.51) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL884817 0.82 PDE4A (0.46) KCNA5KCNH2ALDH1A1PDE4ACYP11B1
SCHEMBL884595 0.82 KCNA5 (0.45) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed