SCHEMBL5201471

SCHEMBL5201471

CC(=O)N1C(C)CN(c2ccc([N+](=O)[O-])cc2)CC1C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
SIRT6 Q8N6T7 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD11B1 P28845 2/20 0.46
ALDH1A1 P00352 5/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TNF P01375 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.45
ADRB1 P08588 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
SCHEMBL3548886 1.00 MAPT (0.49) MAPTSIRT6MEN1KMT2AHSD11B1
SCHEMBL1042577 0.81 SIRT6 (0.58) MAPTSIRT6MEN1KMT2AHSD11B1
SCHEMBL1042578 0.81 SIRT6 (0.58) MAPTSIRT6MEN1KMT2AHSD11B1
SCHEMBL5725293 0.81 MAPT (0.64) MAPTSIRT6MEN1KMT2AHSD11B1
SCHEMBL6073501 0.81 MAPT (0.64) MAPTSIRT6MEN1KMT2AHSD11B1
SCHEMBL18436935 0.78 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2TNFNOD2NOD1
SCHEMBL3313704 0.77 ALDH1A1 (0.60) MAPTSIRT6MEN1KMT2AALDH1A1
SCHEMBL1749231 0.77 MAPT (0.52) MAPTSIRT6MEN1KMT2AALDH1A1
SCHEMBL27938419 0.77 MAPT (0.52) MAPTSIRT6ALDH1A1TP53LMNA
SCHEMBL6606878 0.76 MAPT (0.61) MAPTSIRT6MEN1KMT2AALDH1A1

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