SCHEMBL16201461

SCHEMBL16201461

Cc1cc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)ccc1-n1ccnc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 7/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2D6 P10635 2/20 0.71
LMNA P02545 7/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPK1 P28482 2/20 0.52
STAT3 P40763 3/20 0.51
POLB P06746 2/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
GALR3 O60755 1/20 0.48
HPGD P15428 1/20 0.48
CETP P11597 1/20 0.48
NOD2 Q9HC29 2/20 0.47

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
SCHEMBL16201464 0.88 PORCN (0.68) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198502 0.88 PORCN (0.71) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198234 0.85 PORCN (0.67) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198087 0.84 PORCN (0.65) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198249 0.83 PORCN (0.80) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16197934 0.83 PORCN (1.00) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198144 0.81 PORCN (0.69) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198251 0.80 PORCN (0.71) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16198077 0.80 PORCN (0.64) PORCNCYP3A4CYP2D6LMNAMAPT
SCHEMBL16201471 0.79 PORCN (0.79) 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