SCHEMBL11827872

SCHEMBL11827872

CCCCCCOc1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
NR5A1 Q13285 1/20 0.55
PLA2G4B P0C869 1/20 0.53
ESR1 P03372 1/20 0.51
LTA4H P09960 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAF1 P04049 1/20 0.47
RAB9A P51151 1/20 0.47
CNR2 P34972 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46

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
SCHEMBL27719937 1.00 MAPT (0.56) MAPTNR5A1PLA2G4BESR1LTA4H
SCHEMBL13303505 0.96 MAPT (0.60) MAPTNR5A1PLA2G4BLTA4HLMNA
SCHEMBL38661965 0.89 PLA2G4B (0.53) MAPTNR5A1PLA2G4BESR1LTA4H
SCHEMBL9699866 0.89 PLA2G4B (0.53) MAPTNR5A1PLA2G4BESR1LTA4H
SCHEMBL9277559 0.85 MAPT (0.61) MAPTNR5A1PLA2G4BESR1LMNA
SCHEMBL16153093 0.84 MAPT (0.69) MAPTPLA2G4BLMNAALDH1A1MAPK1
SCHEMBL1608515 0.84 MAPT (0.69) MAPTPLA2G4BLMNAALDH1A1MAPK1
SCHEMBL1608924 0.84 MAPT (0.69) MAPTPLA2G4BLMNAALDH1A1MAPK1
Nitrophenolate SCHEMBL10432626 0.84 NR5A1 (0.61) MAPTNR5A1PLA2G4BESR1LTA4H
SCHEMBL13303357 0.84 MAPT (0.56) MAPTPLA2G4BESR1LMNAALDH1A1

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
US-3984405-A PYRIDO(3,2-B)(1,4)OXAZIN-3(4H)-ONES E. R. SQUIBB & SONS, INC. (US) 1976-10-05 US disclosed