SCHEMBL8550700

SCHEMBL8550700

CCOC(=O)c1cnn(C)c1NCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 1/20 0.49
MYC P01106 1/20 0.45
WDR5 P61964 1/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AGTR1 P30556 5/20 0.43
AGTR2 P50052 5/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6606668 0.82 KDM4E (0.55) KDM4EALDH1A1HSD17B10MYCWDR5
SCHEMBL7437534 0.81 KDM4E (0.50) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL8552171 0.78 MAP2K1 (0.40) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL8550701 0.78 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL3982628 0.77 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10MYCWDR5
SCHEMBL30660078 0.77 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10MYCWDR5
SCHEMBL30443207 0.74 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10MYCWDR5
SCHEMBL3976878 0.74 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10MYCWDR5
SCHEMBL6606838 0.72 AGTR1 (0.53) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL3982611 0.71 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10MYCWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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