SCHEMBL14722452

SCHEMBL14722452

CC(=O)Nc1ccc(-c2ccc3ccccc3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
HTT P42858 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
OGT O15294 1/20 0.60
UTRN P46939 1/20 0.59
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 4/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
NFKB1 P19838 1/20 0.57
NPY1R P25929 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
MAPT P10636 5/20 0.56
HPGD P15428 3/20 0.56
RXFP1 Q9HBX9 2/20 0.56
CYP2C19 P33261 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL14384814 0.87 HSD17B1 (0.69) SMN1; SMN2L3MBTL1UTRNKMT2AMEN1
SCHEMBL1176635 0.85 MEN1 (0.69) SMN1; SMN2HTTL3MBTL1UTRNKMT2A
Anthracene SCHEMBL29076817 0.84 MEN1 (0.67) SMN1; SMN2HTTL3MBTL1UTRNKMT2A
SCHEMBL171741 0.81 L3MBTL1 (0.83) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL3818831 0.81 SMN1; SMN2 (1.00) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL8549110 0.80 RAB9A (0.62) SMN1; SMN2HTTL3MBTL1UTRNKMT2A
Acetanilide SCHEMBL8761741 0.79 NAPRT (0.86) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL9762638 0.79 SMN1; SMN2 (0.86) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL8577619 0.79 SMN1; SMN2 (0.70) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL26613449 0.79 MAPK10 (0.57) SMN1; SMN2HTTL3MBTL1KMT2AMEN1

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-2013028445-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO claimed