SCHEMBL4817023

SCHEMBL4817023

O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1.O=[N+]([O-])c1ccc(N2CCNCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.71
ADRB1 P08588 1/20 0.71
HTR1A P08908 3/20 0.56
KCNJ1 P48048 1/20 0.56
KCNH2 Q12809 1/20 0.56
KMT2A Q03164 1/20 0.54
POLB P06746 3/20 0.52
HTR7 P34969 1/20 0.51
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ESRRG P62508 1/20 0.50

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
SCHEMBL2717022 0.92 SIRT6 (0.64) SIRT6HTR1AKMT2APOLBMAPT
SCHEMBL6151796 0.92 SIRT6 (0.64) SIRT6HTR1AKMT2APOLBMAPT
SCHEMBL5784690 0.87 SIRT6 (0.71) SIRT6ADRB1HTR1AKCNJ1KCNH2
SCHEMBL5206660 0.86 LMNA (0.63) SIRT6HTR1AKMT2APOLBMAPT
SCHEMBL6151805 0.86 SIRT6 (0.96) SIRT6ADRB1HTR1AKCNJ1KCNH2
SCHEMBL5780433 0.85 KMT2A (0.58) SIRT6HTR1AKMT2APOLBMAPT
SCHEMBL336262 0.84 SIRT6 (1.00) SIRT6ADRB1HTR1AKCNJ1KCNH2
SCHEMBL7526992 0.84 SIRT6 (1.00) SIRT6ADRB1HTR1AKCNJ1KCNH2
SCHEMBL5743368 0.83 HTR1A (0.61) SIRT6HTR1AKCNJ1KMT2APOLB
SCHEMBL1496058 0.83 SIRT6 (0.96) SIRT6ADRB1HTR1AKCNJ1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed