SCHEMBL884430

SCHEMBL884430

c1ccc(-c2ccccc2C(Cc2cccnc2)c2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.61
KCNH2 Q12809 4/20 0.61
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
P2RX7 Q99572 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL5038329 0.96 KCNA5 (0.62) KCNA5KCNH2HTTKMT2ASLC6A2
SCHEMBL5035444 0.81 SLC6A2 (0.45) KCNA5KCNH2HTTSLC6A2SLC6A4
SCHEMBL7381762 0.81 KMT2A (0.48) KCNA5KCNH2HTTKMT2ACYP11B1
SCHEMBL884569 0.79 KCNA5 (0.51) KCNA5KCNH2CYP11B1CYP11B2
SCHEMBL5038360 0.79 KCNA5 (0.48) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL884905 0.79 KCNA5 (0.51) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL5033715 0.78 KCNA5 (0.50) KCNA5KCNH2HTTSLC6A2SLC6A4
SCHEMBL31570747 0.78 SLC6A2 (0.66) KCNA5KCNH2HTTSLC6A2SLC6A4
SCHEMBL31570740 0.77 GAA (0.55) KCNH2HTTSLC6A2SLC6A4SLC6A3
SCHEMBL2062779 0.76 KCNA5 (1.00) KCNA5KCNH2KMT2ASLC6A2SLC6A4

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