SCHEMBL4627735

SCHEMBL4627735

COCCc1cc(C(=O)OC)c(N)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 13/20 0.60
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
GLA P06280 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
ABL1 P00519 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
SCHEMBL4628796 0.88 CFTR (0.56) CFTRKDM4EALDH1A1GAAMAPT
SCHEMBL4627860 0.87 CFTR (0.55) CFTRKDM4EALDH1A1GAAMAPT
SCHEMBL9942844 0.86 CFTR (0.63) CFTRKDM4EALDH1A1GAAMAPT
SCHEMBL4628821 0.83 CFTR (0.53) CFTRKDM4EALDH1A1GAAMAPT
SCHEMBL4626512 0.83 CFTR (0.53) CFTRKDM4EALDH1A1GAAMAPT
SCHEMBL2389081 0.80 CFTR (0.59) CFTRKDM4EALDH1A1GAAMAPT
SCHEMBL2475128 0.77 CFTR (0.70) CFTRKDM4EALDH1A1GAAMAPT
SCHEMBL22833377 0.77 CFTR (0.70) CFTRKDM4EALDH1A1GAAMAPT
SCHEMBL23040878 0.76 CFTR (0.68) CFTRKDM4EALDH1A1GAAMAPT
SCHEMBL2387625 0.76 CFTR (1.00) CFTRKDM4EALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871749-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS Novartis AG (US) 2008-01-02 EP disclosed
WO-2006108591-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS NOVARTIS AG (CH) 2006-10-19 WO disclosed