SCHEMBL8010635

SCHEMBL8010635

CC(C)(C)c1cc(OC[C@@H]2Cn3c(nc4cc(N)ccc43)O2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
GRM2 Q14416 9/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 1/20 0.32
CA2 P00918 1/20 0.32
CYP2C19 P33261 1/20 0.31
RAD52 P43351 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
SCHEMBL1511669 0.87 GRM2 (0.39) KDM4EMAPTGRM2SMN1; SMN2NPSR1
SCHEMBL8007502 0.86 GRM2 (0.39) KDM4EMAPTGRM2SMN1; SMN2NPSR1
SCHEMBL8006076 0.82 DRD4 (0.36) KDM4EMAPTGRM2SMN1; SMN2NPSR1
SCHEMBL8016918 0.77 GRM2 (0.37) KDM4EMAPTGRM2SMN1; SMN2NPSR1
SCHEMBL12831258 0.76 GRM2 (0.53) KDM4EMAPTGRM2SMN1; SMN2NPSR1
SCHEMBL1512162 0.75 GRM2 (0.39) KDM4EMAPTGRM2SMN1; SMN2NPSR1
SCHEMBL8010143 0.74 GRM2 (0.39) KDM4EMAPTGRM2SMN1; SMN2NPSR1
SCHEMBL8016915 0.74 KDM4E (0.35) KDM4EMAPTGRM2SMN1; SMN2NPSR1
SCHEMBL8008777 0.74 GRM2 (0.35) KDM4EMAPTGRM2SMN1; SMN2NPSR1
SCHEMBL1244357 0.74 GRM2 (0.53) KDM4EMAPTGRM2SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009140163-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK & CO., INC. (US) 2009-11-19 WO disclosed