SCHEMBL6606668

SCHEMBL6606668

CCOC(=O)c1cn(C)nc1NCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 5/20 0.55
HSD17B10 Q99714 1/20 0.55
AGTR1 P30556 7/20 0.46
AGTR2 P50052 7/20 0.46
HPGD P15428 4/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BDKRB1 P46663 3/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42

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
SCHEMBL8553594 0.85 AGTR1 (0.44) KDM4EALDH1A1HSD17B10AGTR1AGTR2
SCHEMBL8550700 0.82 KDM4E (0.49) KDM4EALDH1A1HSD17B10AGTR1AGTR2
SCHEMBL6606838 0.78 AGTR1 (0.53) KDM4EALDH1A1HSD17B10AGTR1AGTR2
SCHEMBL30660078 0.78 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10AGTR1AGTR2
SCHEMBL3982628 0.78 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10AGTR1AGTR2
SCHEMBL8553595 0.77 LTB4R2 (0.45) KDM4EALDH1A1AGTR1AGTR2HPGD
SCHEMBL30443207 0.77 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10AGTR1AGTR2
SCHEMBL3976878 0.77 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10AGTR1AGTR2
SCHEMBL7437534 0.77 KDM4E (0.50) KDM4EALDH1A1HSD17B10AGTR1AGTR2
SCHEMBL9532846 0.75 ALDH1A1 (0.57) KDM4EALDH1A1HSD17B10HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0829479-B1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-04-14 EP disclosed
EP-0588299-B1 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
EP-0829479-A1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-18 EP disclosed
US-5500427-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-19 US disclosed
EP-0588299-A2 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-23 EP disclosed