SCHEMBL9942854

SCHEMBL9942854

CS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)c(-c3ccc(N)cc3)cc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 2/20 0.39
AR P10275 2/20 0.38
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PTGS2 P35354 1/20 0.34
KIF11 P52732 2/20 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
SCHEMBL9942859 0.89 PDE3B (0.38) ARCA12CA9PDE3BPDE3A
SCHEMBL2390931 0.87 HAVCR2 (0.40) HAVCR2CA12CA9PDE3BPDE3A
SCHEMBL2387497 0.87 DDR1 (0.40) HAVCR2ARKIF11
SCHEMBL2388699 0.83 PARP1 (0.44) ARCA12CA9
SCHEMBL2390366 0.83 CA12 (0.36) HAVCR2CA12CA9
SCHEMBL2389629 0.82 CA12 (0.39) HAVCR2CA12CA9
SCHEMBL2390743 0.82 BRD4 (0.36) CA12CA9
SCHEMBL2389449 0.82 CFTR (0.43) CA12CA9PDE3BPDE3APTGS2
SCHEMBL2389240 0.81 PIK3CA (0.41) PTGS2
Hydrochloric Acid SCHEMBL2390612 0.81 BRD4 (0.36) CA12CA9

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