SCHEMBL7469901

SCHEMBL7469901

Nc1ccccc1Cn1c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2ccc(Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 3/20 0.44
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
ALDH3A1 P30838 3/20 0.40
CXCL8 P10145 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HTR6 P50406 2/20 0.37
PDE5A O76074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL7460713 0.85 MAPK8 (0.55) CMA1MAPK8MAPK9HDAC6HDAC1
SCHEMBL7463851 0.85 NOX4 (0.46) CMA1MAPK8MAPK9PARGALDH1A1
SCHEMBL7461329 0.84 CMA1 (0.46) CMA1MAPK8MAPK9ALDH3A1CXCL8
SCHEMBL7467427 0.80 ALDH1A1 (0.47) CMA1MAPK8MAPK9ALDH3A1PSEN1
SCHEMBL7466124 0.79 CMA1 (0.46) CMA1MAPK8MAPK9HDAC6HDAC1
SCHEMBL7466686 0.78 CYP3A4 (0.38) CMA1MAPK8MAPK9ALDH3A1NOD2
SCHEMBL7472819 0.77 HSP90AA1 (0.39) CMA1MAPK8NOD2NOD1HDAC6
SCHEMBL4456863 0.77 GABRA5 (0.53) CMA1MAPK8MAPK9PARGSMN1; SMN2
SCHEMBL7468517 0.77 HDAC6 (0.52) CMA1MAPK8MAPK9HDAC6HDAC1
SCHEMBL7462052 0.77 KMT2A (0.47) CMA1MAPK8MAPK9HDAC6HDAC1

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