SCHEMBL9942859

SCHEMBL9942859

CS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)c(-c3cccc(N)c3)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
BRD4 O60885 1/20 0.37
AR P10275 2/20 0.36
PARP1 P09874 1/20 0.35
PTGS2 P35354 1/20 0.34
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
DDR1 Q08345 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL9942854 0.89 HAVCR2 (0.39) PDE3BPDE3AARPTGS2CA12
SCHEMBL2390743 0.87 BRD4 (0.36) BRD4CA12CA9DDR1
Hydrochloric Acid SCHEMBL2390612 0.87 BRD4 (0.36) BRD4CA12CA9DDR1
SCHEMBL2391399 0.85 AKR1C3 (0.42) CA12CA9
SCHEMBL2388783 0.85 DDR1 (0.40) BRD4CCNT1CDK9DDR1
SCHEMBL2390375 0.85 PTPN5 (0.34) ARCA12CA9DDR1
SCHEMBL2389228 0.84 NMT1 (0.41) BRD4PARP1DDR1
SCHEMBL2389449 0.83 CFTR (0.43) PDE3BPDE3APTGS2CA12CA9
SCHEMBL2390931 0.82 HAVCR2 (0.40) PDE3BPDE3ACA12CA9DDR1
SCHEMBL2388699 0.81 PARP1 (0.44) ARPARP1CA12CA9DDR1

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