SCHEMBL8944158

SCHEMBL8944158

CCOC(=O)c1cn(C)nc1NC(CC)Cc1ccc(-c2ccccc2C(=N)NO)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 2/20 0.39
AGTR1 P30556 7/20 0.38
AGTR2 P50052 4/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL6610008 0.91 AGTR1 (0.39) JMJD6AGTR1AGTR2TP53
SCHEMBL8944450 0.84 LMNA (0.39) AGTR1AGTR2TP53NPSR1
SCHEMBL8944331 0.84 AGTR1 (0.51) AGTR1AGTR2TSHRMAPK1NPSR1
SCHEMBL8944447 0.83 AGTR1 (0.36) AGTR1AGTR2TP53MAPK1
SCHEMBL8551396 0.79 AGTR1 (0.38) JMJD6AGTR1AGTR2TP53
SCHEMBL8548779 0.77 LTB4R2 (0.48) JMJD6AGTR1AGTR2
SCHEMBL8944162 0.76 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL6608520 0.73 JMJD6 (0.39) JMJD6TSHRMAPK1NPSR1
SCHEMBL6604865 0.70 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL8548756 0.68 AGTR1 (0.37) AGTR1AGTR2

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-5500427-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-19 US disclosed