SCHEMBL7457233

SCHEMBL7457233

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)Nc1ccc(Cn2c(=O)n(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccc(Cl)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
MAPK8 P45983 4/20 0.38
P2RX3 P56373 6/20 0.35
PARG Q86W56 4/20 0.35
RORC P51449 1/20 0.35
PTGS2 P35354 1/20 0.34
MAPT P10636 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
SCHEMBL7457228 1.00 HDAC6 (0.39) HDAC6HDAC1HDAC8MAPK8P2RX3
SCHEMBL7472667 0.79 TP53 (0.42) MAPT
SCHEMBL7457234 0.79 HDAC6 (0.37) HDAC6HDAC1HDAC8MAPK8P2RX3
SCHEMBL7472819 0.77 HSP90AA1 (0.39) HDAC6HDAC1HDAC8MAPK8P2RX3
SCHEMBL7559676 0.76 HDAC6 (0.43) HDAC6HDAC1HDAC8MAPK8PARG
SCHEMBL7467388 0.75 PSEN1 (0.42) HDAC6HDAC1HDAC8
SCHEMBL7467037 0.73 SLC1A3 (0.43) HDAC6HDAC1HDAC8
SCHEMBL7472833 0.73 MAPT (0.48) MAPT
SCHEMBL7468517 0.73 HDAC6 (0.52) HDAC6HDAC1HDAC8MAPK8MAPT
SCHEMBL7461329 0.72 CMA1 (0.46) HDAC6HDAC1HDAC8MAPK8PARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795548-B1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LTD (JP) 2002-07-03 EP disclosed
US-5814631-A CHYMASE INHIBITOR, CARDIVASCULAR SUNTORY LIMITED (JP) 1998-09-29 US disclosed