SCHEMBL4694668

SCHEMBL4694668

COCc1cc(C#N)cc(COC)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.46
EGLN2 Q96KS0 1/20 0.43
CYP2A6 P11509 1/20 0.37
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37
APP P05067 3/20 0.36
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.34
MAOB P27338 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
FFAR1 O14842 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
SCHEMBL20698865 0.95 GRM5 (0.46) GRM5EGLN2CYP2A6TTRALB
SCHEMBL4696796 0.90 GRM5 (0.41) GRM5EGLN2TTRALBAPP
SCHEMBL25857951 0.90 GRM5 (0.41) GRM5EGLN2CYP2A6TTRALB
SCHEMBL4693657 0.86 GRM5 (0.41) GRM5EGLN2ALDH1A1MAOB
SCHEMBL20698866 0.86 GRM5 (0.41) GRM5EGLN2MRGPRX4
SCHEMBL25077205 0.86 GRM5 (0.50) GRM5EGLN2
SCHEMBL4651507 0.86 GRM5 (0.41) GRM5EGLN2CYP2A6TTRALB
SCHEMBL9948037 0.86 GRM5 (0.41) GRM5EGLN2CYP2A6TTRALB
SCHEMBL20698868 0.82 IDO1 (0.44) GRM5EGLN2KDM4EMRGPRX4
SCHEMBL4693555 0.82 GRM5 (0.39) GRM5EGLN2APPALDH1A1HPGD

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