SCHEMBL7227352

SCHEMBL7227352

CC(C)(C)OC(=O)C/[N+]([O-])=C/c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.41
NR1D1 P20393 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FBP1 P09467 1/20 0.36
AKT1 P31749 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL7227347 1.00 KMT2A (0.47) KMT2AALDH1A1TDP1NR1D1NPC1
SCHEMBL7258759 0.77 ALDH1A1 (0.43) KMT2AALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL7258762 0.77 ALDH1A1 (0.43) KMT2AALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL8697236 0.74 KMT2A (0.41) KMT2AALDH1A1TDP1NPC1FBP1
SCHEMBL1380798 0.72 PTPRC (0.40) KMT2AALDH1A1TDP1NFKB1NFKB2
SCHEMBL7226574 0.72 ALDH1A1 (0.46) KMT2AALDH1A1TDP1NPC1MAPT
SCHEMBL7226576 0.72 ALDH1A1 (0.46) KMT2AALDH1A1TDP1NPC1MAPT
SCHEMBL8697794 0.70 CES1 (0.47) KMT2AALDH1A1TDP1NPC1HAO1
SCHEMBL28466214 0.70 PAM (0.58) TDP1CYP2C19
SCHEMBL5727816 0.70 PTPN1 (0.38) KMT2AALDH1A1TDP1MAPTNFKB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6660734-B1 Oxazinones having antibacterial activity SIMON FRASER UNIVERSITY (CA) 2003-12-09 US disclosed
WO-2003020709-A1 1,2-OXAZIN-3-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS SIMON FRASER UNIVERSITY (CA) 2003-03-13 WO disclosed
US-6399600-B1 ANTIBIOTIC RESISTANT BATERIA INFECTIONS SIMON FRASER UNIVERSITY (CA) 2002-06-04 US disclosed