SCHEMBL7521045

SCHEMBL7521045

O=[N+]([O-])c1ccccc1COC(CCBr)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.44
MAOB P27338 1/20 0.44
MGAM O43451 2/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 1/20 0.39
KDM4A O75164 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL7927423 0.85 ALDH1A1 (0.48) ALDH1A1HTTTSHRHPGDMAOB
SCHEMBL11505765 0.80 ALDH1A1 (0.56) ALDH1A1HTTTSHRHPGDMAOB
SCHEMBL1818771 0.78 ALDH1A1 (0.53) ALDH1A1HTTTSHRHPGDMAOB
SCHEMBL7027259 0.76 ALDH1A1 (0.55) ALDH1A1HTTTSHRHPGDMAOB
SCHEMBL27960896 0.75 ALDH1A1 (0.58) ALDH1A1HTTTSHRHPGDMAOB
SCHEMBL7117062 0.75 ALDH1A1 (0.50) ALDH1A1HTTTSHRHPGDMAOB
SCHEMBL1814444 0.75 ALDH1A1 (0.62) ALDH1A1HTTTSHRHPGDCYP2C19
SCHEMBL77922 0.75 ALDH1A1 (0.62) ALDH1A1HTTTSHRHPGDMAOB
SCHEMBL30178336 0.75 ALDH1A1 (0.62) ALDH1A1HTTTSHRHPGDCYP2C19
SCHEMBL10389230 0.74 ALDH1A1 (0.39) ALDH1A1HTTTSHRHPGDMAOB

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
EP-0635023-B1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2002-02-06 EP disclosed
US-6232463-B1 CROSSLINKING OLIGONUCLEOTIDES CONTAINING PURINE ANALOGS HAVING REACTIVE SITES ON THE NUCLEOBASE AND ON A SUGAR MOIETY; ANTISENSE AGENTS ISIS PHARMACEUTICALS, INC. 2001-05-15 US disclosed
US-5811534-A PURINE-BASED COMPOUNDS FOR INCLUSION INTO OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1998-09-22 US disclosed
US-5719271-A HYBRIDS; GENETIC ENGINEERING ISIS PHARMACEUTICALS, INC. (US) 1998-02-17 US disclosed
US-5681941-A GENETIC ENGINEERING; CROSSLINKING OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1997-10-28 US disclosed
US-5543507-A BONDING STRANDS OR ONE STRAND AT DIFFERENT SITES; RNA MIMICS FIXED IN SPATIAL CONFORMATION; NUCLEASE RESISTANT MIMICS OF BINDING RECEPTORS FOR NUCLEIC ACID-BINDING PROTEINS; 5-LIPOXYGENASE INHIBITORS; DIAGNOSIS; ANALYZING ISIS PHARMACEUTICALS, INC. (US) 1996-08-06 US disclosed