SCHEMBL16197899

SCHEMBL16197899

O=C(COc1ccc(-c2cccnc2)cc1)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.70
PORCN Q9H237 4/20 0.67
CYP3A4 P08684 2/20 0.66
CYP2D6 P10635 2/20 0.66
GALR3 O60755 1/20 0.65
RAB9A P51151 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
LMNA P02545 1/20 0.63
NAMPT P43490 1/20 0.62
POLB P06746 2/20 0.57
KMT2A Q03164 2/20 0.56
MKNK2 Q9HBH9 3/20 0.55
MKNK1 Q9BUB5 2/20 0.55
WNT3A P56704 1/20 0.55
MEN1 O00255 1/20 0.55

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
SCHEMBL16198579 0.88 LMNA (0.76) NOTUMPORCNCYP3A4CYP2D6GALR3
SCHEMBL16198217 0.85 PORCN (0.84) NOTUMPORCNCYP3A4CYP2D6GALR3
SCHEMBL4527479 0.84 LMNA (0.83) NOTUMPORCNCYP3A4CYP2D6GALR3
SCHEMBL31121893 0.82 NOTUM (1.00) NOTUMGALR3RAB9ATDP1LMNA
SCHEMBL15785422 0.82 CYP3A4 (0.59) NOTUMCYP3A4CYP2D6KMT2AMKNK2
SCHEMBL16197628 0.81 PORCN (0.64) NOTUMPORCNCYP3A4CYP2D6GALR3
SCHEMBL1790136 0.81 MKNK2 (0.67) NOTUMPORCNGALR3RAB9ATDP1
SCHEMBL1787958 0.81 MKNK2 (0.66) NOTUMLMNAKMT2AMKNK2MKNK1
SCHEMBL16198026 0.81 PORCN (0.62) NOTUMPORCNCYP3A4CYP2D6GALR3
SCHEMBL16197884 0.81 PORCN (1.00) NOTUMPORCNCYP3A4CYP2D6GALR3

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