SCHEMBL9942853

SCHEMBL9942853

CSNn1c(=O)[nH]c2cc(C(F)(F)F)c(C(C)OCC(C)C)cc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
DDR1 Q08345 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9942861 0.89 AR (0.37) ARCA12CA9DDR1
SCHEMBL9942836 0.87 AR (0.36) ARCA12CA9DDR1ALDH1A1
SCHEMBL9942848 0.86 CA12 (0.35) ARCA12CA9DDR1
SCHEMBL1661447 0.85 AR (0.35) ARCA12CA9DDR1ALDH1A1
SCHEMBL9942847 0.83 CA12 (0.40) ARCA12CA9DDR1
SCHEMBL9942855 0.82 KDM4E (0.33) ARCA12CA9ALDH1A1POLB
SCHEMBL9942831 0.81 CA12 (0.38) ARCA12CA9DDR1
SCHEMBL14773371 0.80 AR (0.34) ARCA12CA9DDR1
SCHEMBL9942843 0.78 DDR1 (0.40) ARCA12CA9DDR1
SCHEMBL3714195 0.77

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-2476671-A1 1H-Quinazoline-2,4-diones Novartis AG (CH) 2012-07-18 EP disclosed
EP-2468732-A1 1H-Quinazoline-2,4-diones Novartis AG (CH) 2012-06-27 EP disclosed
EP-2463278-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS Novartis AG (CH) 2012-06-13 EP disclosed