SCHEMBL7101654

SCHEMBL7101654

CCCc1cn2ncc(C(=O)OCC)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 3/20 0.46
HIF1A Q16665 1/20 0.46
NPC1 O15118 2/20 0.43
PLAT P00750 1/20 0.42
HSP90AA1 P07900 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR1H2 P55055 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
SCHEMBL31293841 0.89 ALDH1A1 (0.43) ALDH1A1KDM4ERAB9AHPGDHIF1A
SCHEMBL13522591 0.77 ALDH1A1 (0.54) ALDH1A1KDM4ERAB9AHPGDHIF1A
SCHEMBL404918 0.75 PLAT (0.53) ALDH1A1KDM4ERAB9AHPGDHIF1A
SCHEMBL7007876 0.74 ALDH1A1 (0.46) ALDH1A1KDM4ERAB9AHPGDHIF1A
SCHEMBL1138081 0.72 ALDH1A1 (0.46) ALDH1A1KDM4ERAB9AHPGDHIF1A
SCHEMBL7954127 0.70 ALDH1A1 (0.49) ALDH1A1KDM4ERAB9AHPGDHIF1A
SCHEMBL25345519 0.69 NR1H2 (0.50) ALDH1A1KDM4ERAB9AHPGDHIF1A
SCHEMBL2825211 0.68 HSP90AA1 (0.46) ALDH1A1KDM4EHPGDNPC1HSP90AA1
SCHEMBL8188074 0.68 KDM4E (0.50) ALDH1A1KDM4ERAB9AHPGDHIF1A
SCHEMBL23728472 0.68 ALDH1A1 (0.55) ALDH1A1KDM4ERAB9AHPGDNPC1

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 6 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-6100252-A SPECIFIED COMPOUNDS INCLUDING METHYL 2-BUTYL-1-((2'-(2-OXO-3H-1,2,3,5-OXATHIADIAZOL-4-YL)BIPHENYL) METHYL)-BENZIMIDAZOLE-7-CARBOXYLATE; USE TO TREAT CIRCULATORY DISEASES SUCH AS HYPERTENSIVE DISEASES AND HEART DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-08 US disclosed
US-5583141-A ADMINISTERING AS THERAPEUTIC AGENTS OF CIRCULATORY DISEASES; AZILSARTAN; ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 US 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
US-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 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