SCHEMBL9846700

SCHEMBL9846700

CCCCc1nccn1Cc1ccc2c(c1)c(Br)c(-c1ccccc1C(=O)OC)n2C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.52
AGTR2 P50052 2/20 0.52
HSP90AA1 P07900 5/20 0.42
HSP90B1 P14625 5/20 0.42
HDAC1 Q13547 1/20 0.42
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL9846761 0.88 AGTR1 (0.45) AGTR1AGTR2HSP90AA1HSP90B1HDAC1
SCHEMBL9310178 0.83 AGTR1 (0.53) AGTR1AGTR2HSP90AA1HSP90B1HDAC1
SCHEMBL9846722 0.82 AGTR1 (0.52) AGTR1AGTR2HSP90AA1HSP90B1HDAC1
SCHEMBL9310171 0.82 AGTR1 (0.52) AGTR1AGTR2HSP90AA1HSP90B1HSP90AB1
SCHEMBL10576800 0.80 AGTR1 (0.60) AGTR1AGTR2HSP90AA1HSP90B1HDAC1
SCHEMBL9309546 0.77 AGTR1 (0.54) AGTR1AGTR2HSP90AA1HSP90B1HSP90AB1
SCHEMBL9846687 0.76 AGTR1 (0.51) AGTR1AGTR2HSP90AA1HSP90B1HSP90AB1
SCHEMBL9846708 0.76 AGTR1 (0.54) AGTR1AGTR2HSP90AA1HSP90B1HSP90AB1
SCHEMBL9309540 0.76 AGTR1 (0.54) AGTR1AGTR2HSP90AA1HSP90B1HSP90AB1
SCHEMBL9846680 0.75 AGTR1 (0.49) AGTR1AGTR2HSP90AA1HSP90B1HSP90AB1

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
EP-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 EP disclosed