SCHEMBL28114577

SCHEMBL28114577

O=c1ccc(OCCCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.94

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.94
SIGMAR1 Q99720 2/20 0.72

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
SCHEMBL28114153 0.89 KCNH2 (0.76) KCNH2SIGMAR1
SCHEMBL28369155 0.86 KCNH2 (0.80) KCNH2SIGMAR1
SCHEMBL467104 0.83 SIGMAR1 (1.00) KCNH2SIGMAR1
SCHEMBL29502121 0.83 KCNH2 (0.76) KCNH2
SCHEMBL28114160 0.83 KCNH2 (0.73) KCNH2
Hydrochloric Acid SCHEMBL1896084 0.83 SIGMAR1 (0.98) KCNH2SIGMAR1
SCHEMBL29502182 0.83 KCNH2 (0.74) KCNH2
SCHEMBL466952 0.82 SIGMAR1 (1.00) KCNH2SIGMAR1
SCHEMBL466942 0.81 SIGMAR1 (0.93) KCNH2SIGMAR1
SCHEMBL29502172 0.80 KCNH2 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106146404-A Pyridazinone derivative and application thereof 江苏恩华药业股份有限公司 2016-11-23 CN disclosed