SCHEMBL8553594

SCHEMBL8553594

CCCC(=O)[N+]#Cc1ccccc1-c1ccc(CNc2nn(C)cc2C(=O)OCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.44
AGTR2 P50052 7/20 0.44
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
BDKRB1 P46663 3/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
PPP1CA P62136 1/20 0.38

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 0.85 KDM4E (0.55) AGTR1AGTR2ALDH1A1HSD17B10MAPT
SCHEMBL9199570 0.72 ALDH1A1 (0.39) AGTR1AGTR2ALDH1A1HSD17B10MAPT
SCHEMBL8944112 0.71 AGTR1 (0.62) AGTR1AGTR2ALDH1A1HSD17B10MAPT
SCHEMBL9031742 0.71 BDKRB1 (0.37) ALDH1A1HSD17B10MAPTKDM4EBDKRB1
SCHEMBL9197854 0.69 ALDH1A1 (0.39) AGTR1AGTR2ALDH1A1HSD17B10MAPT
SCHEMBL8553595 0.69 LTB4R2 (0.45) AGTR1AGTR2ALDH1A1MAPTKDM4E
SCHEMBL9039532 0.68 MYC (0.32) BDKRB1CYP1A2
SCHEMBL9031434 0.68 MYC (0.39) ALDH1A1HSD17B10MAPTKDM4EBDKRB1
SCHEMBL9033745 0.68 ACHE (0.32) AGTR1AGTR2BDKRB1MEN1KMT2A
SCHEMBL8550700 0.68 KDM4E (0.49) AGTR1AGTR2ALDH1A1HSD17B10MAPT

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-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
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