SCHEMBL11596337

SCHEMBL11596337

O=C1OC2(C=Cc3cc([N+](=O)[O-])ccc3O2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
MAPT P10636 6/20 0.42
HTT P42858 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GFER P55789 1/20 0.41
PTPRC P08575 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CES1 P23141 1/20 0.40
S100A4 P26447 1/20 0.40
FTO Q9C0B1 2/20 0.40
HIF1A Q16665 2/20 0.39
EPAS1 Q99814 2/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL11595360 0.80 NPSR1 (0.43) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL11595247 0.79 NPSR1 (0.46) MEN1KMT2AMAPTHTTCA9
SCHEMBL11596561 0.79 LMNA (0.46) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL11593655 0.79 MAPT (0.44) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL8684835 0.77 MEN1 (0.43) MEN1KMT2AMAPTHTTCA9
SCHEMBL11593747 0.77 MAPT (0.40) MEN1KMT2AMAPTHTTCA9
SCHEMBL8680760 0.77 MEN1 (0.50) MEN1KMT2AMAPTHTTCA9
SCHEMBL8682159 0.77 MEN1 (0.41) MEN1KMT2AMAPTHTTCA9
SCHEMBL11594939 0.76 MAPT (0.49) MEN1KMT2AMAPTHTTCA9
SCHEMBL1771870 0.75 FTO (0.54) MEN1KMT2AMAPTHTTALDH1A1

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
US-4078074-A 2H-Chromene-2-spiro-3'-phthalides useful as horticultural and agricultural fungicides RIKAGAKU KENKYUSHO AND MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JA) 1978-03-07 US claimed
US-4078074-A 2H-Chromene-2-spiro-3'-phthalides useful as horticultural and agricultural fungicides RIKAGAKU KENKYUSHO AND MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JA) 1978-03-07 US disclosed