SCHEMBL7466686

SCHEMBL7466686

C=CCOC(=O)c1ccccc1Cn1c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2ccc(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
HDAC6 Q9UBN7 3/20 0.37
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
CMA1 P23946 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
P2RX3 P56373 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL7468017 0.85 HDAC6 (0.45) SMN1; SMN2NOD2NOD1HDAC6CMA1
SCHEMBL7472835 0.84 SMN1; SMN2 (0.43) SMN1; SMN2NOD2NOD1HDAC6CMA1
SCHEMBL7469901 0.78 CMA1 (0.44) SMN1; SMN2NOD2NOD1HDAC6PSEN1
SCHEMBL7467191 0.78 L3MBTL1 (0.45) SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL7467252 0.77 PSEN1 (0.41) SMN1; SMN2NOD2NOD1PSEN1PSEN2
SCHEMBL7464054 0.76 CMA1 (0.48) CYP3A4SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL7460713 0.76 MAPK8 (0.55) SMN1; SMN2HDAC6PSEN1PSEN2APH1B
SCHEMBL7467945 0.76 AKR1B1 (0.39) SMN1; SMN2HDAC6PSEN1PSEN2APH1B
SCHEMBL7463851 0.76 NOX4 (0.46) CYP3A4CMA1ALDH1A1MAPK8MAPK9
SCHEMBL7472819 0.74 HSP90AA1 (0.39) NOD2NOD1HDAC6PSEN1PSEN2

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