SCHEMBL9302784

SCHEMBL9302784

CCCCc1nc2c(Cc3ccc(-c4ccccc4C#N)c(CO)c3)ccc(C(=O)OC)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
AGTR1 P30556 2/20 0.34
AGTR2 P50052 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
BRS3 P32247 3/20 0.34
RIPK1 Q13546 1/20 0.33
APLNR P35414 2/20 0.33
TLR7 Q9NYK1 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
SCHEMBL9302701 0.77 BRS3 (0.45) AGTR1AGTR2BRS3
SCHEMBL9304405 0.77 AGTR1 (0.42) AGTR1AGTR2BRS3
SCHEMBL9303359 0.75 HPGD (0.39) ALDH1A1TDP1AGTR1AGTR2KDM4E
SCHEMBL5592930 0.74 BRS3 (0.39) ALDH1A1TDP1KDM4EHPGDCRHBP
SCHEMBL9302495 0.74 AGTR1 (0.37) AGTR1AGTR2BRS3
SCHEMBL9303312 0.74 BRS3 (0.38) AGTR1AGTR2BRS3TLR7
SCHEMBL9302908 0.74 AGTR1 (0.37) ALDH1A1AGTR1AGTR2KDM4EBRS3
SCHEMBL7014285 0.73 TLR7 (0.45) AGTR1AGTR2TLR7
SCHEMBL9303418 0.69 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8476707 0.69 KDM4E (0.41) ALDH1A1TDP1KDM4EHPGDBRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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