SCHEMBL9942836

SCHEMBL9942836

CCCCOC(C)c1cc2c(=O)n(NSC)c(=O)[nH]c2cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
DDR1 Q08345 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 1/20 0.30

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 0.94 AR (0.37) ARCA12CA9DDR1
SCHEMBL9942853 0.87 AR (0.35) ARCA12CA9DDR1ALDH1A1
SCHEMBL9942848 0.86 CA12 (0.35) ARCA12CA9DDR1
SCHEMBL1661310 0.86 AR (0.35) ARSMN1; SMN2CA12CA9DDR1
SCHEMBL14773371 0.83 AR (0.34) ARCA12CA9DDR1
SCHEMBL9942847 0.80 CA12 (0.40) ARCA12CA9DDR1
SCHEMBL9942843 0.80 DDR1 (0.40) ARCA12CA9DDR1
SCHEMBL12799572 0.77 AR (0.37) ARCA12CA9DDR1KDM4E
SCHEMBL957862 0.75 AR (0.38) ARCA12CA9DDR1KDM4E
SCHEMBL9942840 0.74 CA12 (0.38) ARCA12CA9

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