SCHEMBL4626512

SCHEMBL4626512

CCCOCCCc1cc(C(=O)OC)c(N)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.53
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
ABL1 P00519 1/20 0.35
S1PR1 P21453 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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 0.84 CFTR (0.56) CFTRKDM4EALDH1A1MAPTHPGD
SCHEMBL4628821 0.84 CFTR (0.53) CFTRKDM4EALDH1A1MAPTHPGD
SCHEMBL4627735 0.83 CFTR (0.60) CFTRKDM4EALDH1A1MAPTHPGD
SCHEMBL4627860 0.79 CFTR (0.55) CFTRKDM4EALDH1A1MAPTHPGD
SCHEMBL2391555 0.78 CFTR (0.56) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL9942844 0.77 CFTR (0.63) CFTRKDM4EALDH1A1MAPTHPGD
SCHEMBL2391646 0.73 CFTR (0.60) CFTRKDM4EALDH1A1MAPTHPGD
SCHEMBL2389934 0.72 CFTR (0.63) CFTRKDM4EALDH1A1MAPTHPGD
SCHEMBL2390188 0.72 CFTR (0.53) CFTRKDM4EALDH1A1MAPTHPGD
SCHEMBL22833377 0.71 CFTR (0.70) CFTRKDM4EALDH1A1MAPTHPGD

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