SCHEMBL29502172

SCHEMBL29502172

N#Cc1ccc(N2CCN(CCCOc3ccc(=O)n(-c4ccc(Cl)c(Cl)c4)n3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.71

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
SCHEMBL29502182 0.84 KCNH2 (0.74) KCNH2
SCHEMBL28369155 0.83 KCNH2 (0.80) KCNH2
SCHEMBL29502121 0.81 KCNH2 (0.76) KCNH2
SCHEMBL28114153 0.81 KCNH2 (0.76) KCNH2
SCHEMBL28114577 0.80 KCNH2 (0.94) KCNH2
SCHEMBL29502237 0.77 KCNH2 (0.64) KCNH2
SCHEMBL29502253 0.77 KCNH2 (0.64) KCNH2
SCHEMBL29502137 0.73 KCNH2 (0.58) KCNH2
SCHEMBL1714712 0.72 HRH3 (0.77) KCNH2
SCHEMBL29502222 0.71 KCNH2 (0.66) KCNH2

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
CN-107793362-B Synthesis and application of phenyl pyridazinone derivative 江苏恩华药业股份有限公司 2022-04-22 CN claimed
CN-107793362-B Synthesis and application of phenyl pyridazinone derivative 江苏恩华药业股份有限公司 2022-04-22 CN disclosed