SCHEMBL7345855

SCHEMBL7345855

[CH2]c1ccc2[nH]nc(C(=O)OC)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
STAT3 P40763 1/20 0.63
HIF1A Q16665 1/20 0.63
CDC7 O00311 1/20 0.47
PRKAA1 Q13131 2/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
NAMPT P43490 1/20 0.46
FLT3 P36888 1/20 0.44
DYRK1A Q13627 4/20 0.42
KDM4C Q9H3R0 1/20 0.41
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41
YTHDC1 Q96MU7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
DYRK3 O43781 1/20 0.40
MAP4K4 O95819 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
SCHEMBL173308 0.83 KDM4E (0.65) KDM4ESTAT3HIF1ACDC7PRKAA1
SCHEMBL4793050 0.83 KDM4E (0.65) KDM4ESTAT3HIF1ACDC7PRKAA1
SCHEMBL2536370 0.82 KDM4E (0.63) KDM4ESTAT3HIF1ACDC7PRKAA1
SCHEMBL4794844 0.82 KDM4E (0.63) KDM4ESTAT3HIF1ACDC7PRKAA1
SCHEMBL1141823 0.82 KDM4E (0.63) KDM4ESTAT3HIF1ACDC7PRKAA1
SCHEMBL4291226 0.82 KDM4E (0.63) KDM4ESTAT3HIF1ACDC7PRKAA1
SCHEMBL4793264 0.82 KDM4E (0.63) KDM4ESTAT3HIF1ACDC7PRKAA1
SCHEMBL18366429 0.81 KDM4E (0.58) KDM4ESTAT3HIF1ACDC7PRKAA1
SCHEMBL13267443 0.81 KDM4E (0.61) KDM4ESTAT3HIF1ACDC7PRKAA1
SCHEMBL16517211 0.79 KDM4E (0.60) KDM4ESTAT3HIF1ACDC7PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 US claimed
US-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US claimed
EP-0837855-A4 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS DU PONT MERCK PHARMA (US) 1998-09-02 EP claimed
CN-1192209-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas DU PONT MERCK PHARMA (US) 1998-09-02 CN claimed
EP-0837855-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-29 EP claimed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US claimed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 WO claimed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US claimed
EP-1029859-A1 N,N'-Disubstituted unsymmetrical cyclic urea and its use in therapy Dupont Pharmaceuticals Company (US) 2000-08-23 EP disclosed
EP-0837855-A4 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS DU PONT MERCK PHARMA (US) 1998-09-02 EP disclosed
CN-1192209-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas DU PONT MERCK PHARMA (US) 1998-09-02 CN disclosed
EP-0837855-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-29 EP disclosed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 WO disclosed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US disclosed