SCHEMBL5206416

SCHEMBL5206416

NC(=O)CC1CCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
HRH3 Q9Y5N1 1/20 0.51
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 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
SCHEMBL5206407 1.00 MAPT (0.51) MAPTHRH3ALDH1A1MAPK1POLB
SCHEMBL31042547 0.82 MAPT (0.54) MAPTHRH3ALDH1A1POLBCYP2C9
SCHEMBL19221745 0.81 MAPT (0.53) MAPTHRH3ALDH1A1MAPK1POLB
SCHEMBL19221744 0.81 MAPT (0.53) MAPTHRH3ALDH1A1MAPK1POLB
SCHEMBL1751383 0.80 MAPT (0.52) MAPTHRH3ALDH1A1MAPK1POLB
SCHEMBL1751385 0.80 MAPT (0.52) MAPTHRH3ALDH1A1MAPK1POLB
SCHEMBL28417404 0.79 NPC1 (0.48) MAPTHRH3ALDH1A1MAPK1KMT2A
SCHEMBL6730754 0.78 MAPT (0.50) MAPTHRH3ALDH1A1MAPK1POLB
SCHEMBL25845507 0.78 MAPT (0.60) MAPTHRH3ALDH1A1POLBCYP2C9
SCHEMBL27832 0.77 SIRT6 (0.59) MAPTHRH3ALDH1A1POLBCYP2C9

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-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO disclosed