SCHEMBL16198217

SCHEMBL16198217

O=C(COc1ccc(-n2ccnc2)cc1)Nc1ccc(-c2cccnc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 7/20 0.84
CYP3A4 P08684 3/20 0.84
CYP2D6 P10635 3/20 0.84
LMNA P02545 4/20 0.66
MAPT P10636 2/20 0.66
ALDH1A1 P00352 1/20 0.66
HTT P42858 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
MAPK1 P28482 2/20 0.62
NOTUM Q6P988 1/20 0.55
WNT3A P56704 1/20 0.53
GALR3 O60755 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.51
MKNK2 Q9HBH9 3/20 0.51
MKNK1 Q9BUB5 2/20 0.51
CYP2C9 P11712 1/20 0.50

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
SCHEMBL16197934 0.91 PORCN (1.00) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198510 0.88 PORCN (0.85) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16197898 0.86 PORCN (0.82) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16201301 0.86 PORCN (0.82) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16197899 0.85 NOTUM (0.70) PORCNCYP3A4CYP2D6LMNANOTUM
SCHEMBL16201471 0.85 PORCN (0.79) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16201462 0.84 PORCN (0.79) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16201439 0.84 PORCN (0.78) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198083 0.84 PORCN (0.74) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16201307 0.83 PORCN (0.80) 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 2 patents. 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
WO-2014175832-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-10-30 WO disclosed