SCHEMBL11304554

SCHEMBL11304554

COc1ccc([N+](=O)[O-])cc1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.74
RECQL P46063 1/20 0.73
SCN2A Q99250 2/20 0.54
NR1H3 Q13133 5/20 0.53
NR1H2 P55055 3/20 0.53
LMNA P02545 2/20 0.52
CA12 O43570 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL30758606 0.89 RECQL (0.62) L3MBTL1RECQLSCN2ANR1H3NR1H2
SCHEMBL16592564 0.89 RECQL (0.62) L3MBTL1RECQLSCN2ANR1H3NR1H2
SCHEMBL19950739 0.84 RECQL (0.66) L3MBTL1RECQLSCN2ANR1H3NR1H2
SCHEMBL18806465 0.81 RECQL (0.62) L3MBTL1RECQLSCN2ANR1H3NR1H2
SCHEMBL6581603 0.79 L3MBTL1 (0.53) L3MBTL1RECQLCA12TDP1ALDH1A1
SCHEMBL10885870 0.78 RECQL (0.59) L3MBTL1RECQLSCN2ANR1H3NR1H2
SCHEMBL6392226 0.78 SCN2A (0.66) SCN2ANR1H3NR1H2LMNAALDH1A1
SCHEMBL6675911 0.77 RXFP1 (0.62) L3MBTL1RECQLCA12TDP1ALDH1A1
SCHEMBL4619154 0.77 RECQL (0.58) L3MBTL1RECQLSCN2ANR1H3NR1H2
SCHEMBL11307122 0.77 CYP3A4 (0.56) L3MBTL1SCN2ANR1H3NR1H2LMNA

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-4280819-A FUEL ADDITIVES ALSO FOR JET FUELS GULF RESEARCH & DEVELOPMENT COMPANY (US) 1981-07-28 US disclosed