SCHEMBL23031999

SCHEMBL23031999

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ LOXL2 Q9Y4K0 2/20 0.33
▸ SPHK2 Q9NRA0 2/20 0.32
▸ SPHK1 Q9NYA1 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ KRAS P01116 1/20 0.32
▸ MAOB P27338 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ SMPD1 P17405 1/20 0.31
▸ IDO1 P14902 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30

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
SCHEMBL23032086 0.84 IDO1 (0.32) IDO1
SCHEMBL23032087 0.81 LOXL2 (0.38) RAB9ANPC1SMN1; SMN2GAAL3MBTL1
SCHEMBL23032084 0.80 LOXL2 (0.36) RAB9ANPC1SMN1; SMN2GAAL3MBTL1
SCHEMBL23031853 0.78 RAB9A (0.40) RAB9ANPC1SMN1; SMN2GAAL3MBTL1
SCHEMBL23032000 0.77 KDM4E (0.30) —
SCHEMBL23031884 0.75 RAB9A (0.35) RAB9ANPC1SMN1; SMN2GAAL3MBTL1
SCHEMBL23014982 0.67 LOXL2 (0.50) RAB9ANPC1SMN1; SMN2GAAL3MBTL1
SCHEMBL3401155 0.66 LOXL2 (0.56) RAB9ANPC1SMN1; SMN2GAAL3MBTL1
SCHEMBL24916671 0.65 GAA (0.40) GAALOXL2MAOB
SCHEMBL23031763 0.64 IDO1 (0.38) CHRM3IDO1

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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