SCHEMBL28485313

SCHEMBL28485313

O=[N+]([O-])c1cc2nc(-c3ccc4ccc5cccc6ccc3c4c56)[nH]c2cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.44
▸ F2 P00734 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ PLAT P00750 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ TYMS P04818 1/20 0.42
▸ NPBWR1 P48145 8/20 0.41
▸ MAPT P10636 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GUSB P08236 1/20 0.41
▸ PTGES O14684 1/20 0.40
▸ MGAM O43451 1/20 0.39
▸ SI P14410 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
SCHEMBL28484512 0.88 GAA (0.39) GAAF2F10PLGPLAU
SCHEMBL28007856 0.74 RAB9A (0.55) GAAMAPTRAB9ASMN1; SMN2HTT
SCHEMBL29773444 0.74 RAB9A (0.55) GAAMAPTRAB9ASMN1; SMN2HTT
SCHEMBL29773446 0.74 RAB9A (0.55) GAAMAPTRAB9ASMN1; SMN2HTT
SCHEMBL28475608 0.73 RAB9A (0.68) GAANPBWR1MAPTRAB9ASMN1; SMN2
SCHEMBL2601574 0.70 ALDH1A1 (0.51) GAAF2MAPTRAB9AMEN1
1-Nitropyrene SCHEMBL339725 0.69 ALDH1A1 (0.57) GAAMAPTRAB9ASMN1; SMN2MEN1
1-Nitropyrene SCHEMBL29450697 0.69 ALDH1A1 (0.57) GAAMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL15906929 0.69 S100A4 (0.43) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22155779 0.69 RAB9A (0.45) MAPTRAB9ASMN1; SMN2MEN1KMT2A

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
CN-111471019-B 5, 6-dinitrobenzimidazole compound and synthesis method and application thereof 浙江工业大学 2021-10-01 — — CN disclosed
CN-111471019-A 5, 6-dinitrobenzimidazole compound and synthesis method and application thereof 浙江工业大学 2020-07-31 — — CN disclosed
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