SCHEMBL23031761

SCHEMBL23031761

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ AGER Q15109 1/20 0.31
▸ OGG1 O15527 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ TAAR1 Q96RJ0 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
SCHEMBL23031763 0.84 IDO1 (0.38) IDO1ALDH1A1AGERCCR5HTR2A
SCHEMBL23032084 0.84 LOXL2 (0.36) IDO1ALDH1A1CCR5
SCHEMBL23032086 0.78 IDO1 (0.32) IDO1AGER
SCHEMBL23032002 0.68 AGER (0.36) IDO1AGERMAPT
SCHEMBL23032087 0.68 LOXL2 (0.38) IDO1CCR5
SCHEMBL23031870 0.64 IDO1 (0.47) IDO1AGERCCR5HTR2ATAAR1
SCHEMBL10458623 0.64 IDO1 (0.50) IDO1HTR2ATAAR1
SCHEMBL649020 0.63 IDO1 (0.64) IDO1HTR2ATAAR1
SCHEMBL9342895 0.63 IDO1 (0.64) IDO1HTR2ATAAR1
SCHEMBL1760266 0.62 FFAR1 (0.51) IDO1ALDH1A1MAPT

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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