SCHEMBL9303359

SCHEMBL9303359

COC(=O)c1ccc(Cc2ccc(-c3ccccc3C#N)cc2)c2nc(Cl)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
BRS3 P32247 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37
F10 P00742 1/20 0.37
BDKRB1 P46663 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
MME P08473 1/20 0.36
PPARG P37231 1/20 0.36
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35

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
SCHEMBL8476707 0.91 KDM4E (0.41) HPGDALDH1A1KDM4EBRS3NPSR1
SCHEMBL5592930 0.86 BRS3 (0.39) HPGDALDH1A1KDM4ECRHBPCRHR2
SCHEMBL12475515 0.77 BRS3 (0.45) BRS3FFAR1AKR1B1AGTR1AGTR2
SCHEMBL9302784 0.75 ALDH1A1 (0.35) HPGDALDH1A1KDM4ECRHBPCRHR2
SCHEMBL3976315 0.75 BRS3 (0.44) BRS3FFAR1AKR1B1MMEAGTR1
SCHEMBL8357465 0.72 BRS3 (0.45) BRS3FFAR1AKR1B1AGTR1AGTR2
SCHEMBL3978313 0.71 BRS3 (0.46) BRS3FFAR1AKR1B1MMEAGTR1
SCHEMBL8635574 0.71 FFAR1 (0.40) ALDH1A1KDM4EBRS3FFAR1AKR1B1
SCHEMBL7376273 0.70 BRS3 (0.42) HPGDALDH1A1KDM4EBRS3NPSR1
SCHEMBL7008730 0.70 ALDH1A1 (0.44) HPGDALDH1A1KDM4ECRHBPCRHR2

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