SCHEMBL8833969

SCHEMBL8833969

CCOC(=O)c1csc(=NC(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AGTR1 P30556 3/20 0.41
AGTR2 P50052 3/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL8834104 0.92 AGTR1 (0.41) AGTR1AGTR2ALDH1A1
SCHEMBL8833914 0.90 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8833121 0.90 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8833882 0.89 RAB9A (0.40) RAB9AHSD17B10
SCHEMBL8833340 0.88 AGTR1 (0.38) AGTR1AGTR2ALDH1A1
SCHEMBL8833764 0.83 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8833864 0.81 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8833300 0.77 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8833162 0.77 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL8833988 0.77 AGTR1 (0.41) 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-5654322-A HYPOTENSIVE AGENTS, CEREBRAL APOPLEXY WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-05 US disclosed