SCHEMBL11323346

SCHEMBL11323346

CCOS(=O)(=O)[O-].CC[N+]1=C(C)C(C)(C)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
HTT P42858 2/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
ESPL1 Q14674 3/20 0.42
APAF1 O14727 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
MCL1 Q07820 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CACNA1F O60840 2/20 0.35
CACNA1D Q01668 2/20 0.35
CACNA1S Q13698 2/20 0.35
CACNA1C Q13936 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
CYP3A4 P08684 4/20 0.35

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
SCHEMBL10082444 0.89 MAPT (0.61) MAPTKMT2ALMNAMEN1TDP1
Iodide SCHEMBL6537514 0.88 MAPT (0.64) MAPTKMT2ALMNAMEN1TDP1
SCHEMBL7740549 0.84 KMT2A (0.56) MAPTKMT2ALMNAMEN1TDP1
Iodide SCHEMBL6537188 0.76 MAPT (0.48) MAPTKMT2ALMNAMEN1TDP1
SCHEMBL7738172 0.75 KMT2A (0.45) MAPTKMT2ALMNAMEN1TDP1
SCHEMBL7738181 0.73 KMT2A (0.43) MAPTKMT2ALMNAMEN1TDP1
Sulfuric Acid SCHEMBL4614640 0.73 ESPL1 (0.43) MAPTKMT2ALMNATDP1HTT
Sulfuric Acid SCHEMBL4614834 0.73 KMT2A (0.57) MAPTKMT2ALMNAMEN1TDP1
SCHEMBL4615179 0.71 ESPL1 (0.47) MAPTKMT2ALMNAMEN1TDP1
Sulfuric Acid SCHEMBL4614646 0.71 MAPT (0.42) MAPTLMNATDP1ESPL1APAF1

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-4259439-A DIMETHINECYANINE DYE SENSITIZER MITSUBISHI PAPER MILLS, LTD. (JP) 1981-03-31 US disclosed