SCHEMBL3923360

SCHEMBL3923360

CCC1CCC(Oc2ccc(N)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
MAPT P10636 6/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 3/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
POLB P06746 2/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL1399585 0.82 MAPT (0.52) ALDH1A1MAPTLMNAKMT2APOLB
SCHEMBL22236053 0.81 ALDH1A1 (0.46) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL22348729 0.80 ALDH1A1 (0.45) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL14858678 0.77 ALDH1A1 (0.51) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL5765504 0.77 SIGMAR1 (0.52) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL3540865 0.77 PARP1 (0.43) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL22348578 0.76 TDP1 (0.47) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL1277890 0.76 MAPT (0.77) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL213412 0.75 LMNA (0.45) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL2911533 0.74 MAPT (0.68) ALDH1A1MAPTLMNATDP1CYP3A4

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-2035417-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES AstraZeneca AB (SE) 2009-03-18 EP disclosed
WO-2007141517-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2007-12-13 WO disclosed