SCHEMBL5688033

SCHEMBL5688033

CCCCOOC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)c[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ CACNA1F O60840 2/20 0.39
▸ CACNA1D Q01668 2/20 0.39
▸ CACNA1S Q13698 2/20 0.39
▸ CACNA1C Q13936 2/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.37

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
SCHEMBL5687416 0.82 HRH2 (0.38) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL11170232 0.77 TDP1 (0.59) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL10992087 0.76 CDC7 (0.50) MAPTALDH1A1MMP2MMP9MMP8
SCHEMBL10996778 0.68 MAPT (0.59) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7534057 0.67 MEN1 (0.51) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL30770331 0.67 MAPT (0.74) MAPTALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL5690136 0.66 CFTR (0.43) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL3389458 0.66 KMT2A (0.57) MAPTALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL9650830 0.65 NPC1 (0.54) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL5072717 0.65 TSHR (0.68) MAPTALDH1A1SLC6A3TDP1MEN1

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-1635827-A1 PYRIDINE N-OXIDES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-03-22 — — EP disclosed
WO-2004110442-A1 PYRIDINE N-OXIDES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-12-23 — — WO disclosed
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