SCHEMBL7010550

SCHEMBL7010550

CCCCc1cc(COC(=O)c2cccc3nc(C)[nH]c23)ccc1-c1ccccc1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
ERN1 O75460 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33

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
SCHEMBL8357062 0.87 ALDH1A1 (0.36) MAPTALDH1A1CYP3A4TSHRMAPK1
SCHEMBL8361953 0.77 MAPT (0.37) MAPTALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL8008273 0.75 MTNR1A (0.33) MAPTALDH1A1CYP3A4TSHRMAPK1
SCHEMBL8421782 0.75 ALDH1A1 (0.38) MAPTALDH1A1CYP3A4TSHRMAPK1
SCHEMBL8417854 0.74 ALDH1A1 (0.43) MAPTALDH1A1CYP3A4TSHRMAPK1
SCHEMBL8419470 0.73 MAPT (0.42) MAPTALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL8363454 0.72 GAA (0.46) ALDH1A1
SCHEMBL8363466 0.72 MAPT (0.39) MAPTALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL8417850 0.72 KMT2A (0.39) MAPTALDH1A1CYP3A4TSHRMAPK1
SCHEMBL8421724 0.71 KDM4E (0.34) MAPTALDH1A1CYP3A4TSHRMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520423-B1 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-14 EP disclosed
US-5354766-A 2-Ethoxy-1-((2'(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl) biphenyl-4-yl)methyl)benzimidazole-7-carboxylic acid; hypotensive agents; CNS activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed
EP-0520423-A2 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-30 EP disclosed