SCHEMBL28030530

SCHEMBL28030530

O=[N+]([O-])c1ccc(N2CCCN2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.60
ADRB1 P08588 1/20 0.60
MAPT P10636 2/20 0.54
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.46
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
CRBN Q96SW2 2/20 0.45
HTR7 P34969 2/20 0.44
HTR1A P08908 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL942183 0.77 SIRT6 (0.87) SIRT6ADRB1MAPTALDH1A1POLB
Hydrochloric Acid SCHEMBL7984519 0.76 SIRT6 (0.84) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL336262 0.75 SIRT6 (1.00) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL7526992 0.75 SIRT6 (1.00) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL6152151 0.74 SIRT6 (0.96) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL6151805 0.74 SIRT6 (0.96) SIRT6ADRB1MAPTALDH1A1POLB
Hydrogen Sulfide SCHEMBL28002215 0.74 SIRT6 (0.96) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL1496058 0.74 SIRT6 (0.96) SIRT6ADRB1MAPTALDH1A1POLB
Hydrochloric Acid SCHEMBL1814630 0.74 SIRT6 (0.96) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL5310568 0.73 SIRT6 (0.53) SIRT6ADRB1MAPTALDH1A1POLB

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
CN-104892615-B Tetrahydro-pyrazole ketone triazin compound and preparation method and application 河南农业大学 2017-04-05 CN disclosed
CN-104892615-A Tetralin pyrazolone triazine compound as well as preparation method and application thereof UNIV HENAN AGRICULTURAL 2015-09-09 CN disclosed