SCHEMBL4697918

SCHEMBL4697918

CCCOc1cc(OC)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 1/20 0.44
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42

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
SCHEMBL27810349 0.93 AHR (0.45) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL7423633 0.89 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL8707754 0.88 CYSLTR2 (0.49) HDAC8TP53
SCHEMBL31456048 0.87 MTNR1A (0.48) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL983772 0.86 SLC6A4 (0.49) CA12CA1CA2CA7CA9
SCHEMBL19738090 0.86 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL164530 0.86 TUBB4A (0.49) CA12CA1CA2CA7CA9
SCHEMBL30594517 0.86 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL24993556 0.85 CA12 (0.47) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL31583912 0.84 PTPN1 (0.49) CA12CA1CA2CA7CA9

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