SCHEMBL14865306

SCHEMBL14865306

CCO[Si](CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)(OCC)OCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.54
GAA P10253 3/20 0.50
MAPT P10636 7/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.48
ALDH1A1 P00352 3/20 0.47
THRB P10828 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 2/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL5477871 0.97 GAA (0.53) PKMGAAMAPTLMNAMEN1
SCHEMBL1558275 0.87 MAPT (0.58) GAAMAPTLMNAMEN1KMT2A
SCHEMBL5506840 0.82 PKM (0.63) PKMGAAMAPTLMNAMEN1
SCHEMBL27182359 0.80 PKM (0.64) PKMGAAMAPTLMNAMEN1
SCHEMBL9734781 0.80 PKM (0.64) PKMGAAMAPTLMNAMEN1
SCHEMBL27182370 0.80 PKM (0.64) PKMGAAMAPTLMNAMEN1
SCHEMBL27182365 0.80 PKM (0.64) PKMGAAMAPTLMNAMEN1
SCHEMBL9733961 0.80 PKM (0.64) PKMGAAMAPTLMNAMEN1
SCHEMBL9734576 0.80 PKM (0.64) PKMGAAMAPTLMNAMEN1
SCHEMBL9734391 0.80 PKM (0.64) PKMGAAMAPTLMNAMEN1

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
EP-2303970-B1 TREATED METAL OXIDE PARTICLES AND TONER COMPOSITIONS CABOT CORP (US) 2013-04-17 EP disclosed