SCHEMBL23031884

SCHEMBL23031884

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GHSR Q92847 1/20 0.34
▸ LOXL2 Q9Y4K0 2/20 0.33
▸ CACNA1B Q00975 3/20 0.33
▸ SPHK2 Q9NRA0 1/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SAE1 Q9UBE0 1/20 0.33
▸ UBA2 Q9UBT2 1/20 0.33
▸ CHRM3 P20309 2/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ SMPD1 P17405 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL23032002 0.85 AGER (0.36) RAB9ANPC1GAAL3MBTL1IDO1
SCHEMBL23031883 0.79 KDM4E (0.31) —
SCHEMBL23031885 0.77 — —
SCHEMBL23031999 0.75 RAB9A (0.34) RAB9ANPC1SMN1; SMN2GAAL3MBTL1
SCHEMBL23032087 0.72 LOXL2 (0.38) RAB9ANPC1SMN1; SMN2GAAL3MBTL1
SCHEMBL23032084 0.71 LOXL2 (0.36) RAB9ANPC1SMN1; SMN2GAAL3MBTL1
SCHEMBL23014982 0.67 LOXL2 (0.50) RAB9ANPC1SMN1; SMN2GAAL3MBTL1
SCHEMBL3401155 0.66 LOXL2 (0.56) RAB9ANPC1SMN1; SMN2GAAL3MBTL1
SCHEMBL23031853 0.66 RAB9A (0.40) RAB9ANPC1SMN1; SMN2GAAL3MBTL1
SCHEMBL3722688 0.65 HTT (0.51) RAB9ANPC1SMN1; SMN2GAAL3MBTL1

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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