SCHEMBL4755250

SCHEMBL4755250

N#Cc1cnc(N)c([N+](=O)[O-])c1N1CCN(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ENPP1 P22413 1/20 0.34
GRM5 P41594 2/20 0.33
RPS6KB1 P23443 2/20 0.33
ATR Q13535 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CD O00329 1/20 0.32
CHRM4 P08173 2/20 0.32
LRRK2 Q5S007 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL4755253 1.00 LMNA (0.39) LMNAENPP1GRM5RPS6KB1ATR
SCHEMBL13985648 0.84 LMNA (0.47) LMNAALDH1A1MAPT
SCHEMBL209373 0.82 ABL1 (0.39) LMNAGRM5RPS6KB1ALDH1A1MAPT
SCHEMBL209374 0.82 ABL1 (0.39) LMNAGRM5RPS6KB1ALDH1A1MAPT
SCHEMBL4757090 0.79 HTT (0.34) GRM5RPS6KB1ATRMAPTMEN1
SCHEMBL4757089 0.79 HTT (0.34) GRM5RPS6KB1ATRMAPTMEN1
SCHEMBL15972434 0.69 SMN1; SMN2 (0.41) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL15972432 0.69 SMN1; SMN2 (0.41) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL16318378 0.68 VCAM1 (0.50) LMNAALDH1A1MAPTMEN1GAA
SCHEMBL16318379 0.68 VCAM1 (0.50) LMNAALDH1A1MAPTMEN1GAA

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
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed