SCHEMBL7559676

SCHEMBL7559676

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
CMA1 P23946 1/20 0.40
PARG Q86W56 3/20 0.38
MAPK8 P45983 4/20 0.37
MAPK9 P45984 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7461329 0.84 CMA1 (0.46) HDAC6HDAC1HDAC8CMA1PARG
SCHEMBL7467037 0.83 SLC1A3 (0.43) HDAC6HDAC1HDAC8CA12CA1
SCHEMBL7460713 0.81 MAPK8 (0.55) HDAC6HDAC1HDAC8CMA1MAPK8
SCHEMBL7461911 0.81 MAPT (0.44) CMA1CA12CA1CA2CA9
SCHEMBL7472833 0.81 MAPT (0.48) CMA1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7468517 0.81 HDAC6 (0.52) HDAC6HDAC1HDAC8CMA1MAPK8
SCHEMBL7466124 0.79 CMA1 (0.46) HDAC6HDAC1HDAC8CMA1PARG
SCHEMBL7462052 0.79 KMT2A (0.47) HDAC6HDAC1HDAC8CMA1PARG
SCHEMBL7459226 0.79 PARG (0.44) HDAC6HDAC1HDAC8CMA1PARG
SCHEMBL7472590 0.78 HDAC6 (0.54) HDAC6HDAC1HDAC8CA1CA2

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 3 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
EP-0795548-A1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LIMITED (JP) 1997-09-17 EP disclosed