SCHEMBL4628796

SCHEMBL4628796

CCOCCc1cc(C(=O)OC)c(N)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 9/20 0.56
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
ABL1 P00519 1/20 0.37
NOTUM Q6P988 2/20 0.35
ADRB2 P07550 3/20 0.35

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
SCHEMBL4627735 0.88 CFTR (0.60) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL4626512 0.84 CFTR (0.53) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL4627860 0.84 CFTR (0.55) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL9942844 0.80 CFTR (0.63) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL4628821 0.80 CFTR (0.53) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL15821941 0.75 GAA (0.43) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL2389934 0.75 CFTR (0.63) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL2475128 0.74 CFTR (0.70) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL22833377 0.74 CFTR (0.70) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL2391646 0.73 CFTR (0.60) CFTRKDM4EALDH1A1MAPTHSD17B10

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