SCHEMBL9900416

SCHEMBL9900416

COC(=O)C(=O)CCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 1/20 0.51
PTPN1 P18031 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
MAOB P27338 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL7060894 0.91 NPSR1 (0.54) NPSR1MAPTPTPN1MEN1KMT2A
SCHEMBL1351134 0.87 LMNA (0.55) NPSR1MAPTPTPN1MEN1KMT2A
SCHEMBL7633450 0.83 MEN1 (0.57) NPSR1MAPTPTPN1MEN1KMT2A
SCHEMBL28543544 0.82 LMNA (0.54) NPSR1MAPTPTPN1MEN1KMT2A
SCHEMBL27930026 0.81 ALDH1A1 (0.51) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL18801901 0.80 LMNA (0.51) NPSR1MAPTPTPN1MEN1KMT2A
SCHEMBL1352270 0.80 ALDH1A1 (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4657892 0.80 ALDH1A1 (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4659331 0.80 ALDH1A1 (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7061549 0.79 NPSR1 (0.48) NPSR1MAPTPTPN1MEN1KMT2A

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
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed