SCHEMBL7467945

SCHEMBL7467945

C=CCOC(=O)c1cccc(S(=O)(=O)n2c(=O)c3ccc(Cl)cc3n(CC(=O)O)c2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.39
AKR1A1 P14550 1/20 0.39
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
NPC1 O15118 1/20 0.34
PPARG P37231 3/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 3/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MAPT P10636 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL7460868 0.89 GAA (0.36) GAASMN1; SMN2HPGDHDAC6PSEN1
SCHEMBL7472637 0.84 MEN1 (0.40) GAASMN1; SMN2MAPT
SCHEMBL7472835 0.84 SMN1; SMN2 (0.43) SMN1; SMN2HPGDHDAC6MAPTHDAC1
SCHEMBL8705102 0.84 GAA (0.38) GAASMN1; SMN2HPGDPPARGPPARD
Iodide SCHEMBL7464178 0.82 MAPT (0.37) GAASMN1; SMN2MAPT
SCHEMBL7470400 0.81 AKR1B1 (0.49) AKR1B1AKR1A1HDAC6PTGDR2PPARG
SCHEMBL7468017 0.80 HDAC6 (0.45) SMN1; SMN2HPGDHDAC6MAPTHDAC1
SCHEMBL7467191 0.79 L3MBTL1 (0.45) GAASMN1; SMN2MAPT
SCHEMBL8707152 0.79 MAT2A (0.43) GAASMN1; SMN2HPGDNPC1PSEN1
SCHEMBL7472700 0.79 CMA1 (0.55) GAASMN1; SMN2HPGDMAPT

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