SCHEMBL5784690

SCHEMBL5784690

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

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.71
ADRB1 P08588 1/20 0.71
KCNJ1 P48048 1/20 0.56
KCNH2 Q12809 1/20 0.56
POLB P06746 3/20 0.54
KMT2A Q03164 1/20 0.54
HTR1A P08908 3/20 0.53
HTR7 P34969 1/20 0.51
MAPT P10636 1/20 0.50
LMNA P02545 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
SCHEMBL4820552 0.92 SIRT6 (0.64) SIRT6ADRB1KCNJ1KCNH2POLB
SCHEMBL4817023 0.87 SIRT6 (0.71) SIRT6ADRB1KCNJ1KCNH2POLB
SCHEMBL6151805 0.86 SIRT6 (0.96) SIRT6ADRB1KCNJ1KCNH2POLB
SCHEMBL5780433 0.85 KMT2A (0.58) SIRT6POLBKMT2AHTR1AMAPT
SCHEMBL7526992 0.84 SIRT6 (1.00) SIRT6ADRB1KCNJ1KCNH2POLB
SCHEMBL336262 0.84 SIRT6 (1.00) SIRT6ADRB1KCNJ1KCNH2POLB
Hydrochloric Acid SCHEMBL1814630 0.83 SIRT6 (0.96) SIRT6ADRB1KCNJ1KCNH2POLB
SCHEMBL1496058 0.83 SIRT6 (0.96) SIRT6ADRB1KCNJ1KCNH2POLB
SCHEMBL6152151 0.83 SIRT6 (0.96) SIRT6ADRB1KCNJ1KCNH2POLB
Hydrogen Sulfide SCHEMBL28002215 0.83 SIRT6 (0.96) SIRT6ADRB1KCNJ1KCNH2POLB

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
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed