SCHEMBL23032084

SCHEMBL23032084

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.36
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CHRM3 P20309 2/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ GHSR Q92847 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ SMPD1 P17405 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ IDO1 P14902 2/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SPHK2 Q9NRA0 1/20 0.31
▸ SPHK1 Q9NYA1 1/20 0.31
▸ KCNH2 Q12809 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
SCHEMBL23032087 0.85 LOXL2 (0.38) LOXL2RAB9ANPC1SMN1; SMN2GAA
SCHEMBL23031761 0.84 IDO1 (0.36) CCR5IDO1ALDH1A1
SCHEMBL23031999 0.80 RAB9A (0.34) LOXL2RAB9ANPC1SMN1; SMN2GAA
SCHEMBL23031884 0.71 RAB9A (0.35) LOXL2RAB9ANPC1SMN1; SMN2GAA
SCHEMBL23031763 0.68 IDO1 (0.38) CHRM3CCR5IDO1ALDH1A1
SCHEMBL23014982 0.67 LOXL2 (0.50) LOXL2RAB9ANPC1SMN1; SMN2GAA
SCHEMBL23031872 0.67 LOXL2 (0.43) LOXL2RAB9ANPC1SMN1; SMN2GAA
SCHEMBL28887579 0.67 LOXL2 (0.59) LOXL2RAB9ANPC1SMN1; SMN2GAA
SCHEMBL3401155 0.66 LOXL2 (0.56) LOXL2RAB9ANPC1SMN1; SMN2GAA
SCHEMBL3722688 0.65 HTT (0.51) RAB9ANPC1SMN1; SMN2GAACHRM3

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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