SCHEMBL7467186

SCHEMBL7467186

C=CCOC(=O)c1ccc(N(C(C)=O)n2c(=O)n(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccc(Cl)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.36
NOD2 Q9HC29 1/20 0.36
CMA1 P23946 1/20 0.35
GAA P10253 1/20 0.34
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
MAPT P10636 2/20 0.33
MAPK8 P45983 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7472829 0.86 CMA1 (0.45) NOD1NOD2CMA1PSEN1PSEN2
SCHEMBL7471528 0.84 CMA1 (0.40) NOD1NOD2CMA1PSEN1PSEN2
SCHEMBL7468000 0.83 CMA1 (0.42) NOD1NOD2CMA1GAAPSEN1
SCHEMBL7472633 0.82 MAPT (0.36) GAAMAPTMAPK8PTGDR2KDM4E
SCHEMBL8784743 0.82 ALDH3A1 (0.43) NOD1NOD2CMA1GAAPSEN1
SCHEMBL7468017 0.81 HDAC6 (0.45) NOD1NOD2CMA1MAPTMAPK8
SCHEMBL7461905 0.81 CMA1 (0.39) NOD1NOD2CMA1PSEN1PSEN2
Iodide SCHEMBL7464172 0.81 GAA (0.35) NOD1NOD2GAAKDM4EALDH1A1
SCHEMBL7468094 0.80 CMA1 (0.41) NOD1NOD2CMA1GAAPSEN1
Iodide SCHEMBL7468579 0.79 CMA1 (0.40) NOD1NOD2CMA1PSEN1PSEN2

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