SCHEMBL23143302

SCHEMBL23143302

O=C(Br)CC[n+]1ccc(-c2cnc3ccccc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.50
▸ NPC1 O15118 11/20 0.48
▸ RAB9A P51151 10/20 0.48
▸ MAPT P10636 8/20 0.48
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ JAK3 P52333 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL23178915 0.88 BCHE (0.51) BCHENPC1RAB9AMAPTSMN1; SMN2
Bromide SCHEMBL23143303 0.86 BCHE (0.50) BCHENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL23143324 0.80 CYP1A2 (0.45) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL23143308 0.80 SIRT5 (0.33) MAPTSMN1; SMN2KMT2AMEN1KDM4E
Trifluoroacetic Acid SCHEMBL23143375 0.79 BCHE (0.43) BCHENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL23143376 0.78 NPC1 (0.49) BCHENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL22335525 0.74 BCHE (0.44) BCHENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL23178636 0.73 BCHE (0.46) BCHENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL23143359 0.72 PIK3CD (0.36) —
SCHEMBL4954320 0.72 NPC1 (0.81) BCHENPC1RAB9AMAPTSMN1; 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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