SCHEMBL16201439

SCHEMBL16201439

COc1cccc(-c2ccc(NC(=O)COc3ccc(-n4ccnc4)cc3)cc2)c1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 6/20 0.78
CYP3A4 P08684 2/20 0.78
CYP2D6 P10635 2/20 0.78
LMNA P02545 4/20 0.64
MAPT P10636 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HTT P42858 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MAPK1 P28482 2/20 0.63
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HAVCR2 Q8TDQ0 3/20 0.52
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
MAPK3 P27361 1/20 0.49
MAPK14 Q16539 1/20 0.49

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
SCHEMBL16197898 0.91 PORCN (0.82) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16201471 0.89 PORCN (0.79) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16197934 0.88 PORCN (1.00) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198312 0.86 PORCN (0.84) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16201301 0.85 PORCN (0.82) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198510 0.85 PORCN (0.85) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198217 0.84 PORCN (0.84) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198249 0.84 PORCN (0.80) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16197663 0.83 PORCN (0.72) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16197880 0.83 PORCN (0.74) 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