SCHEMBL28396262

SCHEMBL28396262

c1[nH]nnc1CCCCCc1c[nH]nn1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
KCNH2 Q12809 1/20 0.31

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
SCHEMBL2705409 0.97 L3MBTL1 (0.31) L3MBTL1
SCHEMBL9556250 0.89 HRH1 (0.43)
SCHEMBL5603669 0.89 KCNH2 (0.47) KCNH2
SCHEMBL3021563 0.89
SCHEMBL3823108 0.89 CA12 (0.31)
SCHEMBL9428449 0.89
SCHEMBL9082457 0.89
SCHEMBL4934846 0.87
SCHEMBL16243885 0.87 CA12 (0.32)
SCHEMBL9082275 0.87 CYP4F2 (0.32)

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-107715913-B Polyacid-based metal organic framework crystal material and preparation method thereof 哈尔滨理工大学 2020-05-15 CN disclosed