SCHEMBL7460971

SCHEMBL7460971

O=c1[nH]c2cc(Cl)ccc2c(=O)n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.79
CA9 Q16790 5/20 0.48
CA12 O43570 4/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
SRC P12931 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PARL Q9H300 1/20 0.40
HAVCR2 Q8TDQ0 1/20 0.39

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
SCHEMBL7460750 0.93 CMA1 (0.75) CMA1CA9CA12ALDH1A1MAPT
SCHEMBL7463672 0.89 CMA1 (1.00) CMA1CA9CA12CA1CA2
SCHEMBL7466207 0.84 CMA1 (0.85) CMA1CA9CA12CA1CA2
SCHEMBL7465666 0.84 CMA1 (0.85) CMA1CA9CA12CA1CA2
SCHEMBL3788201 0.84 CMA1 (0.85) CMA1CA9CA12GRIN2DGRIN3B
SCHEMBL3775614 0.84 CMA1 (0.85) CMA1CA9CA12CA1CA2
SCHEMBL7464965 0.84 CMA1 (0.85) CMA1CA9CA12ALDH1A1CA1
SCHEMBL7461590 0.81 CMA1 (0.79) CMA1CA9CA12ALDH1A1MAPT
SCHEMBL7472863 0.81 CMA1 (0.79) CMA1CA9CA12CA1CA2
SCHEMBL7467052 0.81 CMA1 (0.79) CMA1CA9CA12MAPTCA1

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