SCHEMBL28353402

SCHEMBL28353402

[CH2]CC(C)SSCCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.40
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 2/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL28349546 0.86 SLC6A11 (0.41) KIF11SLC6A1SLC6A11KCNH2MEN1
SCHEMBL28353445 0.82 SLC6A11 (0.41) KIF11SLC6A1SLC6A11KCNH2MEN1
SCHEMBL16021678 0.81 KIF11 (0.46) KIF11SLC6A1SLC6A11KCNH2NPC1
SCHEMBL28882285 0.80 KIF11 (0.40) KIF11SLC6A1SLC6A11KCNH2NPC1
SCHEMBL13658487 0.80 KIF11 (0.47) KIF11SLC6A1SLC6A11KCNH2
SCHEMBL3997667 0.78 KIF11 (0.48) KIF11SLC6A1SLC6A11KCNH2MEN1
SCHEMBL30770594 0.78 KIF11 (0.43) KIF11SLC6A1SLC6A11KCNH2MEN1
SCHEMBL28349587 0.77 SLC6A11 (0.40) KIF11SLC6A1SLC6A11ALDH1A1MEN1
SCHEMBL13425184 0.77 KIF11 (0.40) KIF11SLC6A1SLC6A11KCNH2KMT2A
SCHEMBL23928757 0.76 KIF11 (0.46) KIF11SLC6A1SLC6A11KCNH2MEN1

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-110603330-A Oligonucleotide derivative or salt thereof 协和麒麟株式会社 2019-12-20 CN disclosed