SCHEMBL4696820

SCHEMBL4696820

COCc1ccc(OC)c(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 2/20 0.56
USP2 O75604 1/20 0.56
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
AR P10275 8/20 0.46
MAOB P27338 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CSF1R P07333 1/20 0.42
CA2 P00918 1/20 0.41
CRHR1 P34998 1/20 0.41
S1PR1 P21453 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL25735784 0.89 AR (0.50) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL4697051 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL15716165 0.85 XDH (0.41) ALDH1A1KDM4EUSP2ARMAOB
SCHEMBL11158058 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL26179844 0.83 S1PR1 (0.46) S1PR1
SCHEMBL14045403 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL13461882 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL7670516 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL1329661 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL29805087 0.82 AR (0.58) ALDH1A1KDM4EUSP2IMPDH2IMPDH1

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