SCHEMBL23032003

SCHEMBL23032003

N/C=N\N=C(/N)c1ccc(COC/C(N)=C/NCCF)cc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 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
SCHEMBL23031852 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL23031880 0.79 ALDH1A1 (0.35) ALDH1A1
SCHEMBL23031885 0.78 — —
SCHEMBL23031763 0.78 IDO1 (0.38) ALDH1A1
SCHEMBL23032087 0.75 LOXL2 (0.38) —
SCHEMBL23031869 0.74 PARP1 (0.36) —
SCHEMBL21300883 0.70 LOXL2 (0.47) —
SCHEMBL23031761 0.66 IDO1 (0.36) ALDH1A1
SCHEMBL23031878 0.65 LMNA (0.44) ALDH1A1
SCHEMBL22815269 0.65 KDM1A (0.48) ALDH1A1

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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