SCHEMBL23143308

SCHEMBL23143308

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 1/20 0.33
▸ PRNP P04156 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL23178876 0.87 SIRT5 (0.42) SIRT5PRNPALDH1A1MAPTSMN1; SMN2
Bromide SCHEMBL23143309 0.86 SIRT5 (0.41) SIRT5PRNPALDH1A1MAPTSMN1; SMN2
SCHEMBL23143324 0.81 CYP1A2 (0.45) SIRT5ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL23143291 0.80 MEN1 (0.38) SIRT5PRNPALDH1A1MAPTSMN1; SMN2
SCHEMBL23143302 0.80 BCHE (0.50) ALDH1A1MAPTSMN1; SMN2HPGDALOX15
SCHEMBL23143332 0.73 PABPC1 (0.32) ALDH1A1PDPK1MAPTABCG2HPGD
SCHEMBL23143299 0.73 KDM4E (0.41) PRNPALDH1A1MAPTSMN1; SMN2ABCG2
Bromide SCHEMBL23143282 0.72 KDM4E (0.40) PRNPALDH1A1MAPTABCG2HPGD
Trifluoroacetic Acid SCHEMBL23143307 0.72 MAPT (0.33) SIRT5ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL22335511 0.71 HDAC6 (0.36) SIRT5PRNPALDH1A1MAPTSMN1; 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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