SCHEMBL4698558

SCHEMBL4698558

COc1ccc(CN2CCOCC2)cc1C#N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.55
PDE4B Q07343 2/20 0.54
CHEK1 O14757 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
SRC P12931 2/20 0.47
EGFR P00533 1/20 0.47
FYN P06241 1/20 0.47
MAP2K1 Q02750 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL16884088 0.83 HTT (0.76) HTTSMN1; SMN2PDE4BKMT2AMEN1
SCHEMBL20468154 0.82 HRH3 (0.50) HTTSMN1; SMN2NPC1TP53TSHR
SCHEMBL2927968 0.80 KDM4E (0.53) SMN1; SMN2KMT2AMEN1TP53TSHR
SCHEMBL28290185 0.79 HTT (0.70) HTTSMN1; SMN2PDE4BKMT2AMEN1
SCHEMBL18648216 0.79 HRH3 (0.50) HTTSMN1; SMN2CHEK1NPC1TP53
SCHEMBL496015 0.79 HRH3 (0.50) HTTSMN1; SMN2PDE4BCHEK1NPC1
SCHEMBL20247420 0.79 HTT (0.55) HTTSMN1; SMN2CHEK1KMT2AMEN1
SCHEMBL519845 0.79 HTT (0.70) HTTSMN1; SMN2PDE4BKMT2AMEN1
SCHEMBL18648036 0.77 HTT (0.42) HTTSMN1; SMN2PDE4BKMT2AMEN1
SCHEMBL5755240 0.77 HTT (0.67) HTTSMN1; SMN2PDE4BKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463501-B1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP disclosed
EP-1463501-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-10-06 EP disclosed
US-6617346-B1 Inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity HOFFMANN-LA ROCHE INC. 2003-09-09 US disclosed
WO-2003051360-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO disclosed