SCHEMBL7170239

SCHEMBL7170239

O=C(O)[C@@H]1CCCN1c1ccc(S(=O)(=O)Oc2ccccc2)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
KEAP1 Q14145 7/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
FFAR2 O15552 1/20 0.37
SERPINE1 P05121 1/20 0.37
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL7666697 0.77 SMN1; SMN2 (0.43) SMN1; SMN2KEAP1ALDH1A1MAPTFFAR2
SCHEMBL7674864 0.76 LMNA (0.43) SMN1; SMN2ALDH1A1MAPTKMT2ACYP1A2
SCHEMBL7169064 0.73 TDP1 (0.40) SMN1; SMN2ALDH1A1MAPTHPGDMEN1
SCHEMBL1653895 0.72 SMN1; SMN2 (0.64) SMN1; SMN2KEAP1ALDH1A1MAPTSERPINE1
SCHEMBL7666695 0.71 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTFFAR2SERPINE1
SCHEMBL7981185 0.70 SMN1; SMN2 (0.68) SMN1; SMN2KEAP1ALDH1A1MAPTSERPINE1
SCHEMBL7978483 0.70 SMN1; SMN2 (0.68) SMN1; SMN2KEAP1ALDH1A1MAPTSERPINE1
SCHEMBL29157409 0.69 SMN1; SMN2 (0.50) SMN1; SMN2KEAP1ALDH1A1MAPTSERPINE1
SCHEMBL7170492 0.68 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTHPGDMEN1
SCHEMBL27433750 0.67 ALPL (0.48) SMN1; SMN2KEAP1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657166-B1 Combination containing a quinoxaline and a nucleoside AVENTIS PHARMA GMBH (DE) 2003-04-09 EP disclosed
US-6369057-B1 VIRICIDES, IN PARTICULAR AGAINST RETROVIRUSES, HUMAN IMMUNODEFICIENCY VIRUS (HIV) AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
EP-0509398-B1 Quinoxalines, process for their preparation and their use AVENTIS PHARMA GMBH (DE) 2001-09-19 EP disclosed
EP-0657166-A1 Combination containing a quinoxaline and a nucleoside HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-14 EP disclosed
EP-0509398-A1 Quinoxalines, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-21 EP disclosed