SCHEMBL16197880

SCHEMBL16197880

COc1ccccc1-c1ccc(NC(=O)COc2ccc(-n3ccnc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 6/20 0.74
CYP3A4 P08684 2/20 0.74
CYP2D6 P10635 2/20 0.74
MAPT P10636 5/20 0.64
LMNA P02545 4/20 0.64
ALDH1A1 P00352 3/20 0.64
HTT P42858 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
NOTUM Q6P988 1/20 0.47
TP53 P04637 2/20 0.47
TACR1 P25103 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL16198074 0.89 PORCN (0.72) PORCNCYP3A4CYP2D6MAPTLMNA
SCHEMBL16201472 0.88 PORCN (0.77) PORCNCYP3A4CYP2D6MAPTLMNA
SCHEMBL16197898 0.87 PORCN (0.82) PORCNCYP3A4CYP2D6MAPTLMNA
SCHEMBL16197934 0.86 PORCN (1.00) PORCNCYP3A4CYP2D6MAPTLMNA
SCHEMBL16197663 0.83 PORCN (0.72) PORCNCYP3A4CYP2D6MAPTLMNA
SCHEMBL16201439 0.83 PORCN (0.78) PORCNCYP3A4CYP2D6MAPTLMNA
SCHEMBL16201301 0.83 PORCN (0.82) PORCNCYP3A4CYP2D6MAPTLMNA
SCHEMBL16198510 0.82 PORCN (0.85) PORCNCYP3A4CYP2D6MAPTLMNA
SCHEMBL16198070 0.82 PORCN (0.80) PORCNCYP3A4CYP2D6MAPTLMNA
SCHEMBL16201548 0.81 PORCN (0.56) PORCNCYP3A4CYP2D6MAPTLMNA

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