SCHEMBL9677392

SCHEMBL9677392

CCc1nc(C)c(C(=O)O)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
BRD9 Q9H8M2 1/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
P2RX7 Q99572 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
SCHEMBL9311427 0.94 AGTR1 (0.39) BRD4AGTR1AGTR2
SCHEMBL9310413 0.93 MKNK2 (0.33) BRD4
SCHEMBL9678265 0.92 EDNRA (0.32) BRD4P2RX7
SCHEMBL9311293 0.92 AGTR2 (0.35) BRD4AGTR1AGTR2P2RX7
SCHEMBL9678077 0.89 BRD4 (0.32) BRD4P2RX7
SCHEMBL9309506 0.88 EDNRA (0.35) AGTR1AGTR2
SCHEMBL9310584 0.87 AGTR1 (0.36) BRD4AGTR1AGTR2
SCHEMBL9311216 0.87 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9309104 0.87 MKNK2 (0.34) BRD4AGTR1AGTR2P2RX7
SCHEMBL9310231 0.86 AGTR2 (0.42) 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
EP-0514216-A1 Antihypotensive benzofuran derivatives with N-linked 1H-imidazolyl-methyl-5-carboxamide substituents GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed