SCHEMBL9942857

SCHEMBL9942857

COC(=O)c1cc(-c2cccc(N)c2)c(C(F)(F)F)cc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 11/20 0.71
PTGS1 P23219 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ABL1 P00519 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AKR1C4 P17516 1/20 0.39

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
SCHEMBL9942845 0.87 CFTR (0.67) CFTRKDM4EGAAALDH1A1MAPT
SCHEMBL9942852 0.86 CFTR (0.68) CFTRKDM4EGAAALDH1A1MAPT
SCHEMBL2390076 0.85 CFTR (0.64) CFTRGAAALDH1A1MAPTHPGD
SCHEMBL9942858 0.85 CFTR (0.53) CFTRPTGS1KDM4EGAAALDH1A1
SCHEMBL29580754 0.81 CFTR (0.49) CFTRPTGS1KDM4EGAAALDH1A1
SCHEMBL2796211 0.81 CFTR (0.49) CFTRPTGS1KDM4EGAAALDH1A1
SCHEMBL2393050 0.79 CFTR (0.64) CFTRKDM4EGAAALDH1A1MAPT
SCHEMBL2388276 0.79 CFTR (0.73) CFTRKDM4EGAAALDH1A1MAPT
SCHEMBL2388810 0.79 CFTR (0.76) CFTRKDM4EGAAALDH1A1MAPT
SCHEMBL12021576 0.78 CFTR (0.61) CFTRKDM4EGAAALDH1A1MAPT

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