SCHEMBL5801067

SCHEMBL5801067

O=[N+]([O-])c1ccc(C2CCNCC2)cc1.O=[N+]([O-])c1ccc(N2CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.66
SIRT6 Q8N6T7 2/20 0.62
ADRB1 P08588 1/20 0.62
LMNA P02545 1/20 0.50
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
ALDH1A1 P00352 4/20 0.48
SLC18A3 Q16572 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45

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
SCHEMBL266215 0.84 P2RY14 (0.53) MAPTSIRT6ADRB1LMNAALDH1A1
SCHEMBL1673550 0.84 SIGMAR1 (0.52) MAPTADRB1ALDH1A1SLC18A3POLB
Hydrochloric Acid SCHEMBL2143909 0.83 P2RY14 (0.52) MAPTSIRT6ADRB1LMNAALDH1A1
Hydrochloric Acid SCHEMBL25322434 0.83 SIGMAR1 (0.50) MAPTADRB1ALDH1A1SLC18A3POLB
SCHEMBL223626 0.81 MAPT (1.00) MAPTSIRT6ADRB1LMNACTSL
SCHEMBL85552 0.81 MAPT (1.00) MAPTSIRT6ADRB1LMNACTSL
SCHEMBL6607374 0.81 MAPT (1.00) MAPTSIRT6ADRB1LMNACTSL
SCHEMBL378458 0.80 MAPT (0.96) MAPTSIRT6ADRB1LMNACTSL
SCHEMBL4433804 0.79 SIRT6 (0.71) MAPTSIRT6ADRB1LMNAALDH1A1
SCHEMBL942183 0.79 SIRT6 (0.87) MAPTSIRT6ADRB1LMNACTSL

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