SCHEMBL4376511

SCHEMBL4376511

CN(OP(=O)(O)O)c1ccccc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CHEK1 O14757 1/20 0.35
NEK2 P51955 1/20 0.35
LIMK1 P53667 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
SRC P12931 1/20 0.34
ALDH1A1 P00352 6/20 0.34
HSD17B10 Q99714 2/20 0.34
CFTR P13569 1/20 0.34
FDPS P14324 1/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL2854023 0.73 HTT (0.56) MEN1HTTKMT2ASRCALDH1A1
SCHEMBL28306398 0.72 ALDH1A1 (0.43) MEN1HTTKMT2ACHEK1NEK2
SCHEMBL12957577 0.72 CHEK1 (0.45) MEN1KMT2ACHEK1NEK2LIMK1
SCHEMBL6848277 0.71 MEN1 (0.37) MEN1HTTKMT2ASRCALDH1A1
SCHEMBL16838887 0.68 CHEK1 (0.45) KMT2ACHEK1NEK2LIMK1DYRK1A
SCHEMBL15268120 0.67 CHEK1 (0.48) MEN1HTTKMT2ACHEK1NEK2
SCHEMBL29707613 0.67 CHEK1 (0.60) MEN1KMT2ACHEK1NEK2LIMK1
SCHEMBL113870 0.67 CHEK1 (0.60) MEN1KMT2ACHEK1NEK2LIMK1
Phosphoric Acid SCHEMBL730140 0.66 ALOX15 (0.62) MEN1KMT2ASRCALDH1A1HSD17B10
SCHEMBL1838817 0.66 MAPK13 (0.41) CHEK1NEK2LIMK1DYRK1ACLK4

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-2009116089-A2 NOVEL INTERMEDIATES AND METHOD FOR SYNTHESIS OF 4'-[(1,4'-DIMETHYL-2'-PROPYL-[2,6'- BI-1HBENZIMIDAZOL]-L-YL)METHYL]-1,1-BIPHENYL]-2-CARBOXYLIC ACID. IPCA LABORATORIES LIMITED (IN) 2009-09-24 WO disclosed