SCHEMBL30095152

SCHEMBL30095152

CC(=O)Oc1cccc2nc(N)[nH]c12.[Zn]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ BLM P54132 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ HMGB1 P09429 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GGT1 P19440 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38

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
SCHEMBL11176787 0.85 MEN1 (0.40) KMT2AMEN1ALDH1A1MASP2NUDT1
SCHEMBL31723877 0.78 DCPS (0.47) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL24834182 0.78 DCPS (0.47) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL14222963 0.75 KDM4E (0.49) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL1193117 0.75 MEN1 (0.42) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL2735452 0.74 TLR8 (0.46) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL1202057 0.72 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL2759979 0.72 MASP2 (0.39) KMT2AMEN1ALDH1A1MASP2NUDT1
Hydrochloric Acid SCHEMBL214354 0.71 DDB1 (0.43) KMT2AMEN1NPC1RAB9AALDH1A1
Carbamic Acid SCHEMBL6323888 0.71 TYMS (0.44) KMT2AMEN1ALDH1A1KDM4EMASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636943-B Acetoxy (2-aminobenzimidazole) -zinc complex and preparation method and application thereof 浙江工业大学 2023-07-18 — — CN claimed
CN-115636943-A Acetoxy (2-aminobenzimidazole) -zinc complex and preparation method and application thereof 浙江工业大学 2023-01-24 — — CN claimed
CN-115636943-B Acetoxy (2-aminobenzimidazole) -zinc complex and preparation method and application thereof 浙江工业大学 2023-07-18 — — CN disclosed
CN-115636943-B Acetoxy (2-aminobenzimidazole) -zinc complex and preparation method and application thereof 浙江工业大学 2023-07-18 — — CN disclosed
CN-115636943-B Acetoxy (2-aminobenzimidazole) -zinc complex and preparation method and application thereof 浙江工业大学 2023-07-18 — — CN disclosed
CN-115636943-A Acetoxy (2-aminobenzimidazole) -zinc complex and preparation method and application thereof 浙江工业大学 2023-01-24 — — CN disclosed
CN-115636943-A Acetoxy (2-aminobenzimidazole) -zinc complex and preparation method and application thereof 浙江工业大学 2023-01-24 — — CN disclosed
CN-115636943-A Acetoxy (2-aminobenzimidazole) -zinc complex and preparation method and application thereof 浙江工业大学 2023-01-24 — — CN disclosed
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