SCHEMBL7126850

SCHEMBL7126850

Cc1cccc2c1cc1ccccc1[n+]2-c1cccc2c1cc1ccccc1[n+]2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP2A6 P11509 3/20 0.38
▸ ACHE P22303 9/20 0.35
▸ CYP1A2 P05177 5/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL2773903 0.87 CYP2A6 (0.48) ALDH1A1CYP2A6ACHECYP1A2HPGD
Iodide SCHEMBL3905319 0.86 CYP2A6 (0.47) ALDH1A1CYP2A6ACHECYP1A2HPGD
SCHEMBL9696995 0.79 ALDH1A1 (0.40) ALDH1A1CYP2A6ACHECYP1A2HPGD
SCHEMBL4076563 0.70 ALDH1A1 (0.50) ALDH1A1CYP2A6ACHECYP1A2HPGD
SCHEMBL28257139 0.69 CYP1A2 (0.47) CYP2A6ACHECYP1A2MAPTMEN1
SCHEMBL278568 0.69 ATM (0.56) ACHEHIF1AMAPTHTTKDM4E
SCHEMBL29464772 0.69 ATM (0.56) ACHEHIF1AMAPTHTTKDM4E
SCHEMBL28273210 0.69 CYP1A2 (0.40) CYP2A6ACHECYP1A2MAPTHTT
Hydrochloric Acid SCHEMBL10713131 0.68 ACHE (0.50) ALDH1A1ACHECYP1A2HPGDHSD17B10
SCHEMBL9990610 0.67 ALDH1A1 (0.50) ALDH1A1CYP2A6ACHECYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6627659-B1 Methods of decreasing the effects of oxidative stress using N-acetylcysteine ZAMBON GROUP S.P.A. (IT) 2003-09-30 — — US disclosed
US-20030139472-A1 Use of N-acetylcysteine for the preparation of a medicament suitable for the intravenous administration to prevent oxidative stress in dialysed patients ZAMBON GROUP S.P.A. (IT) 2003-07-24 — — US disclosed
EP-1171112-A2 USE OF N-ACETYLCYSTEINE FOR THE PREPARATION OF A MEDICAMENT SUITABLE FOR THE INTRAVENOUS ADMINISTRATION TO PREVENT OXIDATIVE STRESS IN DIALYSED PATIENTS ZAMBON GROUP S.p.A. (IT) 2002-01-16 — — EP disclosed
WO-2000064421-A2 USE OF N-ACETYLCYSTEINE FOR THE PREPARATION OF A MEDICAMENT SUITABLE FOR THE INTRAVENOUS ADMINISTRATION TO PREVENT OXIDATIVE STRESS IN DIALYSED PATIENTS ZAMBON GROUP S.P.A. (IT) 2000-11-02 — — WO disclosed
US-5434085-A Method and apparatus for superoxide and nitric oxide measurement UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1995-07-18 — — US disclosed
WO-1992016648-A1 CHEMILUMINESCENT TEST FOR MICROORGANISMS ENVIRONMENTAL TEST SYSTEMS, INC. (US) 1992-10-01 — — WO disclosed
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