SCHEMBL1246550

SCHEMBL1246550

CC(O)Cc1ccc(OC[C@@H]2Cn3c(nc4ccccc43)O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRM2 Q14416 8/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.36
CYP2C19 P33261 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL1495289 0.85 GRM2 (0.53) POLBKMT2AL3MBTL1GRM2KDM4E
SCHEMBL1512226 0.83 GRM2 (0.47) POLBKMT2AL3MBTL1GRM2KDM4E
SCHEMBL1495060 0.83 GRM2 (0.45) POLBKMT2AL3MBTL1GRM2KDM4E
SCHEMBL1245956 0.82 KMT2A (0.44) POLBKMT2AL3MBTL1GRM2KDM4E
SCHEMBL1495305 0.82 GRM2 (0.50) POLBKMT2AL3MBTL1GRM2KDM4E
SCHEMBL1246280 0.81 GRM2 (0.47) POLBKMT2AL3MBTL1GRM2KDM4E
SCHEMBL1245490 0.81 GRM2 (0.56) POLBKMT2AL3MBTL1GRM2KDM4E
SCHEMBL1495124 0.79 GRM2 (0.53) POLBKMT2AL3MBTL1GRM2KDM4E
SCHEMBL1246625 0.78 GRM2 (0.41) POLBKMT2AL3MBTL1GRM2KDM4E
SCHEMBL1495292 0.78 GRM2 (0.45) POLBKMT2AL3MBTL1GRM2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279532-A2 OXAZOLOBENZIMIDAZOLE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2011-02-02 EP disclosed
WO-2009140166-A2 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK & CO., INC. (US) 2009-11-19 WO disclosed