SCHEMBL23032002

SCHEMBL23032002

N=C/C(COCc1ccc(Br)cc1)=N\NCCF

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AGER Q15109 1/20 0.36
▸ MAPT P10636 2/20 0.33
▸ IDO1 P14902 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL23031884 0.85 RAB9A (0.35) IDO1NPC1GAARAB9AL3MBTL1
SCHEMBL23031883 0.81 KDM4E (0.31) MAPT
SCHEMBL23031885 0.79 — —
SCHEMBL23031871 0.72 RAB9A (0.48) MAPTMEN1NPC1GAARAB9A
SCHEMBL23032086 0.72 IDO1 (0.32) AGERIDO1
SCHEMBL23031763 0.69 IDO1 (0.38) AGERIDO1
SCHEMBL23031761 0.68 IDO1 (0.36) AGERMAPTIDO1
SCHEMBL10458623 0.63 IDO1 (0.50) IDO1
SCHEMBL23031868 0.62 IDO1 (0.42) AGERIDO1MEN1NPC1RAB9A
SCHEMBL649020 0.62 IDO1 (0.64) IDO1NPC1RAB9AKMT2A

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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