SCHEMBL5274052

SCHEMBL5274052

O=[N+]([O-])N(N(c1ccccc1)c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ CRHBP P24387 2/20 0.47
▸ CRHR2 Q13324 2/20 0.47
▸ TLR9 Q9NR96 2/20 0.47
▸ ATM Q13315 2/20 0.47
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ RAB9A P51151 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPC1 O15118 2/20 0.36

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
SCHEMBL7564810 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL27663009 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL17935 0.75 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL8423837 0.75 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL28115797 0.75 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL564828 0.75 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL10490987 0.75 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
Methyl Alcohol SCHEMBL28255453 0.74 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL29026135 0.73 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL28604677 0.73 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AL3MBTL1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101133322-A Method for analyzing activated polyethylene glycol compounds DOW GLOBAL TECHNOLOGIES INC (US) 2008-02-27 — — CN disclosed
EP-1859264-A1 METHOD FOR ANALYZING ACTIVATED POLYETHYLENE GLYCOL COMPOUNDS Dow Gloval Technologies Inc. (US) 2007-11-28 — — EP disclosed
WO-2006096535-A1 METHOD FOR ANALYZING ACTIVATED POLYETHYLENE GLYCOL COMPOUNDS DOW GLOBAL TECHNOLOGIES INC. (US) 2006-09-14 — — WO disclosed
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