SCHEMBL4693555

SCHEMBL4693555

COCc1cc(C#N)cc(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
EGLN2 Q96KS0 1/20 0.36
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ERN1 O75460 2/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
FFAR1 O14842 1/20 0.31
EGFR P00533 1/20 0.31
P4HB P07237 1/20 0.30
APP P05067 2/20 0.30
TSHR P16473 1/20 0.30
CYP1A2 P05177 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
SCHEMBL4694668 0.82 GRM5 (0.46) GRM5EGLN2ALDH1A1KDM4EHPGD
SCHEMBL14536291 0.82 ERN1 (0.38) ALDH1A1HPGDERN1NPC1RAB9A
SCHEMBL20698865 0.82 GRM5 (0.46) GRM5EGLN2ALDH1A1KDM4EHPGD
SCHEMBL3605246 0.82 ERN1 (0.38) ALDH1A1HPGDERN1NPC1RAB9A
SCHEMBL25373504 0.80 ERN1 (0.32) ALDH1A1KDM4EERN1NPC1RAB9A
SCHEMBL30694811 0.80 ERN1 (0.32) ALDH1A1KDM4EERN1NPC1RAB9A
SCHEMBL12465035 0.77 GRM5 (0.35) GRM5EGLN2PDCD1CD274FFAR1
SCHEMBL29951645 0.75 VCAM1 (0.38) EGFRTSHR
SCHEMBL2161087 0.75 VCAM1 (0.38) EGFRTSHR
SCHEMBL22436467 0.75 FFAR1 (0.33) MRGPRX4FFAR1EGFR

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