SCHEMBL9942855

SCHEMBL9942855

CSNn1c(=O)[nH]c2cc(C(F)(F)F)c(C(C)OC3CCCC3)cc2c1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
AR P10275 9/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL1660522 0.85 KDM4E (0.33) KDM4EALDH1A1HTTSMN1; SMN2CA12
SCHEMBL9942848 0.85 CA12 (0.35) CA12CA9AR
SCHEMBL9942853 0.82 AR (0.35) ALDH1A1HTTCA12CA9AR
SCHEMBL9942861 0.81 AR (0.37) CA12CA9AR
SCHEMBL9942847 0.81 CA12 (0.40) CA12CA9AR
SCHEMBL9942836 0.80 AR (0.36) KDM4EALDH1A1SMN1; SMN2CA12CA9
SCHEMBL9942831 0.79 CA12 (0.38) CA12CA9AR
SCHEMBL9942843 0.75 DDR1 (0.40) CA12CA9ARNR3C1PGR
SCHEMBL14773371 0.74 AR (0.34) CA12CA9AR
SCHEMBL12799588 0.74 CFTR (0.40) KDM4EALDH1A1CA12CA9AR

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