SCHEMBL18201849

SCHEMBL18201849

CN(C)C(=O)c1cccc(CC=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ERN1 O75460 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
KIF11 P52732 1/20 0.42
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
LOX P28300 1/20 0.40
BRD4 O60885 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD2 P14416 1/20 0.40
FOLH1 Q04609 1/20 0.40
F10 P00742 1/20 0.39

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
SCHEMBL19291273 0.88 KMT2A (0.49) KMT2AMEN1ERN1L3MBTL1HSD17B1
SCHEMBL30036639 0.83 L3MBTL1 (0.55) KMT2AMEN1L3MBTL1HSD17B2NPC1
SCHEMBL322040 0.82 KMT2A (0.53) KMT2AMEN1ERN1L3MBTL1HSD17B1
SCHEMBL3996930 0.82 KMT2A (0.53) KMT2AMEN1ERN1L3MBTL1HSD17B1
SCHEMBL29866123 0.82 KMT2A (0.53) KMT2AMEN1ERN1L3MBTL1HSD17B1
SCHEMBL7044973 0.81 FOLH1 (0.62) KMT2AMEN1ERN1L3MBTL1HSD17B1
SCHEMBL30240849 0.81 KMT2A (0.56) KMT2AMEN1ERN1L3MBTL1HSD17B1
SCHEMBL3276164 0.81 KMT2A (0.51) KMT2AMEN1ERN1L3MBTL1HSD17B1
SCHEMBL29866166 0.81 KMT2A (0.51) KMT2AMEN1ERN1L3MBTL1HSD17B1
SCHEMBL5567925 0.81 KMT2A (0.56) KMT2AMEN1ERN1L3MBTL1HSD17B1

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-2016176473-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF SANFORD-BURNHAM MEDICAL RESEARC INSTITUTE (US) 2016-11-03 WO disclosed