SCHEMBL4627606

SCHEMBL4627606

COC(=O)c1cc(I)c(CCF)cc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.57
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.44
GAA P10253 5/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
GLA P06280 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
ABL1 P00519 1/20 0.42
NQO2 P16083 1/20 0.39
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 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
SCHEMBL2389114 0.88 CFTR (0.60) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL2391916 0.84 CFTR (0.59) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL28922445 0.77 CFTR (0.66) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL16155019 0.76 CFTR (0.65) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL12021191 0.74 CFTR (0.62) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL31216058 0.74 CFTR (0.58) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL19535269 0.74 KDM4E (0.56) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL8735628 0.74 KDM4E (0.51) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL24918216 0.73 CFTR (0.60) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL857614 0.73 KDM4E (0.74) CFTRKDM4EALDH1A1GAAHSD17B10

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