SCHEMBL9942862

SCHEMBL9942862

COC(=O)c1ccc(Br)cc1NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.52
NR4A2 P43354 1/20 0.50
ALDH1A1 P00352 6/20 0.49
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
SLC6A3 Q01959 1/20 0.45
KDM4E B2RXH2 9/20 0.44
ATM Q13315 2/20 0.44
POLB P06746 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL21777655 0.86 KDM4E (0.58) ABCG2NR4A2ALDH1A1GAAL3MBTL1
SCHEMBL29476211 0.83 ABCG2 (0.56) ABCG2NR4A2ALDH1A1GAAL3MBTL1
SCHEMBL3990612 0.83 ABCG2 (0.56) ABCG2NR4A2ALDH1A1GAAL3MBTL1
SCHEMBL4585616 0.81 ABCG2 (0.49) ABCG2NR4A2ALDH1A1GAAL3MBTL1
SCHEMBL4577829 0.81 NR4A2 (0.56) ABCG2NR4A2ALDH1A1GAAL3MBTL1
SCHEMBL29773857 0.81 NR4A2 (0.56) ABCG2NR4A2ALDH1A1GAAL3MBTL1
SCHEMBL14574822 0.80 KDM4E (0.70) ABCG2NR4A2ALDH1A1GAAL3MBTL1
SCHEMBL3839211 0.79 NR4A2 (0.54) ABCG2NR4A2ALDH1A1GAAL3MBTL1
SCHEMBL9942872 0.79 ACLY (0.55) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL24373505 0.79 KDM4E (0.54) ABCG2ALDH1A1GAAL3MBTL1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468732-B1 1H-Quinazoline-2,4-diones NOVARTIS AG (CH) 2014-08-20 EP disclosed
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