SCHEMBL30962519

SCHEMBL30962519

COC(=O)Nc1ccc(Nc2cc(Cl)ncc2[N+](=O)[O-])cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.45
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ PABPC1 P11940 1/20 0.41
▸ AHR P35869 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CGAS Q8N884 1/20 0.39

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
SCHEMBL27472822 1.00 PIK3CA (0.45) PIK3CAMAPTPOLBMAPK1PKM
SCHEMBL27473171 0.85 AHR (0.45) MAPTPOLBMAPK1MEN1KMT2A
SCHEMBL27473173 0.81 PIK3CA (0.53) PIK3CAMEN1KMT2AL3MBTL1PABPC1
SCHEMBL30962579 0.81 PIK3CA (0.52) PIK3CAMEN1KMT2AL3MBTL1PABPC1
SCHEMBL23535498 0.81 MAPT (0.58) MAPTPOLBMAPK1MEN1KMT2A
SCHEMBL4716677 0.79 GAA (0.63) MAPTPOLBMAPK1PKML3MBTL1
SCHEMBL30578466 0.79 GAA (0.63) MAPTPOLBMAPK1PKML3MBTL1
SCHEMBL31627881 0.76 CHEK1 (0.46) MAPTPOLBMAPK1PKMMEN1
SCHEMBL4002405 0.74 L3MBTL1 (0.58) MAPTPOLBMAPK1PKMMEN1
SCHEMBL31455424 0.74 NPC1 (0.44) MAPTMAPK1PKMMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4634162-A1 BENZIMIDAZOLE DERIVATIVES Syngenta Crop Protection AG (CH) 2025-10-22 — — EP disclosed
WO-2024126407-A1 BENZIMIDAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-06-20 — — WO disclosed
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