SCHEMBL7126854

SCHEMBL7126854

Cc1cc2nc3ccccc3cc2c(-c2cccc3nc4ccccc4cc23)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 3/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
PTBP1 P26599 1/20 0.46
RCE1 Q9Y256 1/20 0.46
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
NQO2 P16083 1/20 0.42
PDE10A Q9Y233 1/20 0.41
MAPT P10636 2/20 0.41
ACHE P22303 1/20 0.41
MBNL1 Q9NR56 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL29177963 0.88 ESR1 (0.46) ALDH1A1HPGDKDM4EKMT2AGLA
SCHEMBL29664474 0.84 ESR1 (0.58) ALDH1A1HPGDKDM4EKMT2AGLA
SCHEMBL29177936 0.82 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EKMT2AGLA
SCHEMBL29664592 0.81 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EKMT2AGLA
SCHEMBL10010909 0.81 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EKMT2AGLA
SCHEMBL28229302 0.79 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EKMT2AGLA
SCHEMBL31012431 0.79 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EKMT2AGLA
SCHEMBL3908670 0.79 NQO2 (0.47) ALDH1A1HPGDKDM4EKMT2AGLA
SCHEMBL30527881 0.79 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EKMT2AGLA
SCHEMBL9755342 0.79 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EKMT2AGLA

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 4 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