SCHEMBL4697617

SCHEMBL4697617

COCc1cc(C#N)cc(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
EGLN2 Q96KS0 1/20 0.37
APP P05067 3/20 0.32
BACE1 P56817 1/20 0.32
PREP P48147 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30

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
SCHEMBL4694914 0.94 GRM5 (0.32) GRM5MRGPRX4
SCHEMBL4694668 0.82 GRM5 (0.46) GRM5EGLN2APPBACE1KDM4E
SCHEMBL4693470 0.80 IDO1 (0.39) PREP
SCHEMBL481291 0.79 MRGPRX4 (0.45) GRM5ALDH1A1MRGPRX4
SCHEMBL20698865 0.78 GRM5 (0.46) GRM5EGLN2APPBACE1KDM4E
SCHEMBL8812553 0.78 CYP2A6 (0.46) ALDH1A1GAA
SCHEMBL29466876 0.78 HMGCR (0.33)
SCHEMBL18314460 0.74 TRPV4 (0.38)
SCHEMBL5882318 0.74 ALDH1A1 (0.41) ALDH1A1
SCHEMBL4696796 0.74 GRM5 (0.41) GRM5EGLN2APPBACE1KDM4E

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