SCHEMBL16201548

SCHEMBL16201548

COc1cc(-n2ccnc2)ccc1OCC(=O)Nc1ccc(-c2ccccc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
LMNA P02545 4/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NOTUM Q6P988 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ADH5 P11766 1/20 0.46
DHODH Q02127 2/20 0.46
MAPK1 P28482 1/20 0.46
CETP P11597 1/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MCHR1 Q99705 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL16198072 0.90 PORCN (0.70) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16201472 0.85 PORCN (0.77) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198251 0.83 PORCN (0.71) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16197880 0.81 PORCN (0.74) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198252 0.78 PORCN (0.66) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198074 0.76 PORCN (0.72) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16197898 0.74 PORCN (0.82) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198249 0.73 PORCN (0.80) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16197934 0.72 PORCN (1.00) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16201464 0.72 PORCN (0.68) PORCNCYP3A4CYP2D6LMNAMAPT

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-2014175832-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-10-30 WO disclosed