SCHEMBL18478772

SCHEMBL18478772

CCOC(=O)C1CCC(C=N)=N1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
PDK1 Q15118 1/20 0.34
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
HSD17B10 Q99714 2/20 0.33
FKBP1A P62942 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL22354610 1.00 ALDH1A1 (0.35) ALDH1A1PDK1PPM1BPTPN1PPP1CC
SCHEMBL18478770 0.84 PDK1 (0.32) ALDH1A1PDK1PPM1BPTPN1PPP1CC
SCHEMBL18452324 0.81 PDK1 (0.32) ALDH1A1PDK1PPM1BPTPN1PPP1CC
SCHEMBL20465450 0.81 PDK1 (0.32) ALDH1A1PDK1PPM1BPTPN1PPP1CC
SCHEMBL8752895 0.78 PDK1 (0.38) ALDH1A1PDK1PPM1BPTPN1PPP1CC
SCHEMBL14915676 0.78 PDK1 (0.38) ALDH1A1PDK1PPM1BPTPN1PPP1CC
SCHEMBL22354601 0.78 CHRNA1 (0.30)
SCHEMBL7083033 0.78 MAPT (0.36) ALDH1A1PDK1PPM1BPTPN1PPP1CC
SCHEMBL17020348 0.78 MEN1 (0.38) ALDH1A1PDK1PPM1BPTPN1PPP1CC
SCHEMBL7625468 0.78 MEN1 (0.38) ALDH1A1PDK1PPM1BPTPN1PPP1CC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328827-B1 PRODRUGS OF GLUTAMINE ANALOGS UNIV JOHNS HOPKINS (US) 2023-07-05 EP disclosed
WO-2017023774-A9 PRODRUGS OF GLUTAMINE ANALOGS THE JOHNS HOPKINS UNIVERSITY (US) 2017-11-23 WO disclosed
WO-2017023774-A1 PRODRUGS OF GLUTAMINE ANALOGS THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-09 WO disclosed