SCHEMBL23032087

SCHEMBL23032087

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.38
▸ CCR5 P51681 2/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ 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
▸ KCNH2 Q12809 1/20 0.34
▸ CHRM3 P20309 2/20 0.33
▸ MAOB P27338 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ SMPD1 P17405 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32

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
SCHEMBL23032084 0.85 LOXL2 (0.36) LOXL2CCR5IDO1RAB9ANPC1
SCHEMBL23031763 0.83 IDO1 (0.38) CCR5IDO1CHRM3
SCHEMBL23031999 0.81 RAB9A (0.34) LOXL2IDO1RAB9ANPC1SMN1; SMN2
SCHEMBL23031872 0.78 LOXL2 (0.43) LOXL2CCR5IDO1RAB9ANPC1
SCHEMBL23032003 0.75 ALDH1A1 (0.32) —
SCHEMBL23031884 0.72 RAB9A (0.35) LOXL2IDO1RAB9ANPC1SMN1; SMN2
SCHEMBL23014982 0.69 LOXL2 (0.50) LOXL2RAB9ANPC1SMN1; SMN2GAA
SCHEMBL28887579 0.69 LOXL2 (0.59) LOXL2IDO1RAB9ANPC1SMN1; SMN2
SCHEMBL3401155 0.68 LOXL2 (0.56) LOXL2IDO1RAB9ANPC1SMN1; SMN2
SCHEMBL23031761 0.68 IDO1 (0.36) CCR5IDO1

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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