SCHEMBL9928459

SCHEMBL9928459

COC(=O)c1ccc(C(C)=NO)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL16959889 0.83 ALDH1A1 (0.50) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL838252 0.83 KDM4E (0.50) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL523320 0.83 KDM4E (0.62) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8401255 0.83 KDM4E (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3116771 0.83 ALDH1A1 (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3116768 0.83 ALDH1A1 (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL406864 0.83 KDM4E (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL406865 0.83 KDM4E (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL1482927 0.80 HTT (0.59) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL30221008 0.80 HTT (0.59) KDM4EALDH1A1MAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463279-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-06-13 EP disclosed