SCHEMBL4696202

SCHEMBL4696202

CCOc1cccc(OC)c1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GLA P06280 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 4/20 0.46
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44

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
SCHEMBL16666142 0.93 GLA (0.52) MAPK1L3MBTL1KDM4EGLAALDH1A1
SCHEMBL1030218 0.87 CA12 (0.65) MAPK1SMN1; SMN2CA12CA1CA2
SCHEMBL14953710 0.84 CA12 (0.75) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL11516673 0.83 SMN1; SMN2 (0.52) MAPK1SMN1; SMN2CA12CA1CA2
SCHEMBL10880239 0.83 ALDH1A1 (0.56) MAPK1SMN1; SMN2POLBL3MBTL1KDM4E
SCHEMBL28192820 0.83 MEN1 (0.50) MAPK1KCNK3KCNK9L3MBTL1GLA
Acetic Acid SCHEMBL27342288 0.81 CA9 (0.55) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL9410550 0.81 L3MBTL1 (0.47) MAPK1POLBL3MBTL1GLAALDH1A1
SCHEMBL4599397 0.81 RXRA (0.60) MAPK1SMN1; SMN2CA12CA1CA2
SCHEMBL1802830 0.80 CA12 (0.57) MAPK1SMN1; SMN2CA12CA1CA2

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