SCHEMBL23031853

SCHEMBL23031853

N#Cc1ccc(COC/C(=C/N)N=N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ IDO1 P14902 2/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAOB P27338 1/20 0.36
▸ CHRM3 P20309 2/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL23031868 0.81 IDO1 (0.42) RAB9ANPC1SMN1; SMN2IDO1MAOB
SCHEMBL23031872 0.79 LOXL2 (0.43) RAB9ANPC1SMN1; SMN2GAAIDO1
SCHEMBL23031999 0.78 RAB9A (0.34) RAB9ANPC1SMN1; SMN2GAAIDO1
SCHEMBL23031850 0.73 KDM4E (0.35) MAPT
SCHEMBL3401155 0.72 LOXL2 (0.56) RAB9ANPC1SMN1; SMN2GAAIDO1
SCHEMBL3722688 0.70 HTT (0.51) RAB9ANPC1SMN1; SMN2GAAL3MBTL1
SCHEMBL19002292 0.69 RAB9A (0.50) RAB9ANPC1SMN1; SMN2GAALOXL2
SCHEMBL28887579 0.69 LOXL2 (0.59) RAB9ANPC1SMN1; SMN2GAAIDO1
SCHEMBL31224597 0.68 LOXL2 (0.52) RAB9ANPC1SMN1; SMN2GAAIDO1
SCHEMBL17855825 0.67 MMP3 (0.56) RAB9ANPC1SMN1; SMN2GAALOXL2

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
WO-2021034924-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS BIOGEN MA INC. (US) 2021-02-25 — — WO disclosed
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