SCHEMBL16198151

SCHEMBL16198151

O=C(CCc1ccc(-n2ccnc2)cc1)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 8/20 0.71
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
WNT3A P56704 1/20 0.61
MEN1 O00255 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
TBXAS1 P24557 2/20 0.57
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 1/20 0.54
ADH5 P11766 1/20 0.52
NPY5R Q15761 1/20 0.52
ROCK2 O75116 1/20 0.52
MAPT P10636 3/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL16198168 0.83 PORCN (0.73) PORCNCYP3A4CYP2D6WNT3AMEN1
SCHEMBL16197934 0.81 PORCN (1.00) PORCNCYP3A4CYP2D6WNT3AMEN1
SCHEMBL5773818 0.80 PORCN (0.57) PORCNCYP3A4CYP2D6WNT3AMEN1
SCHEMBL13356363 0.79 MAPT (0.80) MEN1TSHRKMT2ALMNASMN1; SMN2
SCHEMBL4530179 0.79 LMNA (0.83) MEN1TSHRKMT2ALMNARAB9A
SCHEMBL28194557 0.77 MAPT (0.66) MEN1TSHRKMT2ALMNASMN1; SMN2
SCHEMBL6660795 0.76 MEN1 (1.00) PORCNCYP3A4CYP2D6WNT3AMEN1
SCHEMBL16198187 0.76 PORCN (0.64) PORCNCYP3A4CYP2D6WNT3AMEN1
SCHEMBL5772720 0.76 PORCN (0.55) PORCNCYP3A4CYP2D6WNT3AMEN1
SCHEMBL16198315 0.76 PORCN (0.75) PORCNCYP3A4CYP2D6WNT3AMEN1

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