SCHEMBL28353344

SCHEMBL28353344

COc1ccc(C(OCCCSSc2ccccn2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 2/20 0.42
KIF11 P52732 3/20 0.40
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 1/20 0.38
KCNH2 Q12809 1/20 0.38
AHR P35869 1/20 0.38
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL28349542 0.82 NPC1 (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL16021678 0.81 KIF11 (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL13658487 0.80 KIF11 (0.47) KIF11SLC6A1SLC6A11KCNH2
SCHEMBL28353348 0.78 SLC6A11 (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL23571163 0.77 EHMT2 (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL15471570 0.76 KIF11 (0.43) MAPTKIF11SLC6A1SLC6A11KCNH2
SCHEMBL28882285 0.75 KIF11 (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL16197752 0.75 KIF11 (0.50) TP53KIF11SLC6A1SLC6A11KCNH2
SCHEMBL8327519 0.75 KIF11 (0.42) TP53KIF11SLC6A1SLC6A11KCNH2
SCHEMBL12582832 0.75 KIF11 (0.42) TP53KIF11SLC6A1SLC6A11KCNH2

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
EP-3617314-B1 OLIGONUCLEOTIDE DERIVATIVE OR SALT THEREOF KYOWA KIRIN CO LTD (JP) 2023-02-15 EP disclosed
CN-110603330-A Oligonucleotide derivative or salt thereof 协和麒麟株式会社 2019-12-20 CN disclosed