SCHEMBL23178876

SCHEMBL23178876

O=C(O)CC[n+]1ccc(-c2nnc3ccccc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ EGLN3 Q9H6Z9 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ PRNP P04156 3/20 0.35
▸ MAPK10 P53779 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PDE4B Q07343 1/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ FFAR1 O14842 1/20 0.34

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
Bromide SCHEMBL23143309 0.99 SIRT5 (0.41) SIRT5HDAC6L3MBTL1KDM4EMEN1
SCHEMBL23143308 0.87 SIRT5 (0.33) SIRT5KDM4EMEN1KMT2AALDH1A1
SCHEMBL23143291 0.87 MEN1 (0.38) SIRT5KDM4EMEN1KMT2AALDH1A1
SCHEMBL22335511 0.83 HDAC6 (0.36) SIRT5HDAC6L3MBTL1KDM4EMEN1
SCHEMBL23178637 0.81 CYP1A2 (0.46) SIRT5KDM4EMEN1KMT2AALDH1A1
Bromide SCHEMBL23143326 0.80 CYP1A2 (0.45) SIRT5KDM4EMEN1KMT2AALDH1A1
SCHEMBL23178915 0.79 BCHE (0.51) L3MBTL1KDM4EMEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL23143307 0.78 MAPT (0.33) SIRT5L3MBTL1KDM4EMEN1KMT2A
Bromide SCHEMBL23143303 0.78 BCHE (0.50) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL14557463 0.76 FFAR1 (0.52) HDAC6KDM4EGAATSHRSMN1; SMN2

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-2021058592-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 — — WO disclosed
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