SCHEMBL28837286

SCHEMBL28837286

CN(C)CCCOc1nc(O)nc(O)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR1B P28222 1/20 0.41
HRH3 Q9Y5N1 6/20 0.41
TOP2A P11388 1/20 0.40
LSS P48449 1/20 0.40

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
SCHEMBL14301472 0.78 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HTR1BHRH3
SCHEMBL9065880 0.78 LTA4H (0.42) SMN1; SMN2
SCHEMBL5474635 0.76 NR5A1 (0.46)
SCHEMBL11367576 0.74 NR5A1 (0.48)
SCHEMBL11359592 0.74 NR5A1 (0.48)
SCHEMBL11366197 0.74 NR5A1 (0.48)
SCHEMBL11368396 0.74 NR5A1 (0.48)
SCHEMBL11368455 0.74 NR5A1 (0.48)
SCHEMBL22837835 0.74 LSS (0.47) KDM4EALDH1A1SMN1; SMN2HTR1BHRH3
SCHEMBL11270818 0.74 LTA4H (0.42) SMN1; SMN2

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-114874107-B Amino lipid and preparation method and application thereof 中山大学附属第七医院(深圳) 2022-11-29 CN disclosed
CN-114874107-A Amino lipid and preparation method and application thereof 中山大学附属第七医院(深圳) 2022-08-09 CN disclosed