SCHEMBL5616554

SCHEMBL5616554

O=C1NC(=O)c2c1cccc2-c1ccccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.52
CASP3 P42574 3/20 0.45
CASP2 P42575 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
CHEK1 O14757 2/20 0.45
WEE1 P30291 2/20 0.45
PARP1 P09874 2/20 0.44
PTP4A3 O75365 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ADK P55263 1/20 0.42

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
SCHEMBL135332 0.92 GSK3B (0.56) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL29032840 0.90 GSK3B (0.54) GSK3BCASP3CASP2CASP7CASP6
Ammonia Solution, Strong SCHEMBL28821133 0.90 GSK3B (0.54) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL16754925 0.85 GSK3B (0.62) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL8429414 0.84 GSK3B (0.61) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL9016868 0.80 GSK3B (0.50) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL28938878 0.80 PTPRC (0.46) GSK3BCASP3CASP2CASP7CASP6
Biphenyl SCHEMBL27584116 0.78 GSK3B (0.48) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL6858237 0.78 GSK3B (0.58) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL28839558 0.78 GSK3B (0.44) GSK3BCASP3CASP2CASP7CASP6

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
US-20070219344-A1 HIGH HEAT POLYETHERSULFONE COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 2007-09-20 US disclosed