SCHEMBL16201307

SCHEMBL16201307

O=C(COc1ccc(-n2ccnc2)cc1)Nc1ccc(-c2ccccc2)nc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 7/20 0.80
CYP3A4 P08684 2/20 0.80
CYP2D6 P10635 2/20 0.80
LMNA P02545 5/20 0.63
ALDH1A1 P00352 3/20 0.63
MAPT P10636 2/20 0.63
HTT P42858 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
MAPK1 P28482 1/20 0.62
NOTUM Q6P988 1/20 0.52
ADH5 P11766 1/20 0.52
WNT3A P56704 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 1/20 0.49
GALR3 O60755 1/20 0.49
TDP1 Q9NUW8 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
SCHEMBL16197934 0.89 PORCN (1.00) PORCNCYP3A4CYP2D6LMNAALDH1A1
SCHEMBL16201300 0.88 PORCN (0.71) PORCNCYP3A4CYP2D6LMNAALDH1A1
SCHEMBL16198070 0.88 PORCN (0.80) PORCNCYP3A4CYP2D6LMNAALDH1A1
SCHEMBL16197909 0.86 PORCN (0.71) PORCNCYP3A4CYP2D6LMNAALDH1A1
SCHEMBL16198312 0.85 PORCN (0.84) PORCNCYP3A4CYP2D6LMNAALDH1A1
SCHEMBL16201303 0.84 PORCN (0.78) PORCNCYP3A4CYP2D6LMNAALDH1A1
SCHEMBL16198217 0.83 PORCN (0.84) PORCNCYP3A4CYP2D6LMNAALDH1A1
SCHEMBL16198298 0.83 PORCN (0.74) PORCNCYP3A4CYP2D6LMNAALDH1A1
SCHEMBL16201462 0.82 PORCN (0.79) PORCNCYP3A4CYP2D6LMNAALDH1A1
SCHEMBL16197998 0.82 PORCN (0.75) PORCNCYP3A4CYP2D6LMNAALDH1A1

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