SCHEMBL16197909

SCHEMBL16197909

O=C(COc1ccc(-n2ccnc2)cc1)Nc1ccc(-c2ccccc2)nn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 7/20 0.71
CYP3A4 P08684 3/20 0.71
CYP2D6 P10635 3/20 0.71
LMNA P02545 4/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 3/20 0.56
HTT P42858 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MAPK1 P28482 1/20 0.55
WNT3A P56704 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 1/20 0.48
TP53 P04637 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.45
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL16201300 0.86 PORCN (0.71) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16201307 0.86 PORCN (0.80) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16201462 0.85 PORCN (0.79) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16197934 0.83 PORCN (1.00) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16201303 0.81 PORCN (0.78) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16197998 0.81 PORCN (0.75) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198018 0.80 CYP3A4 (0.68) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16201507 0.80 PORCN (0.68) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198083 0.80 PORCN (0.74) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198312 0.80 PORCN (0.84) 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