SCHEMBL5477871

SCHEMBL5477871

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
MAPT P10636 5/20 0.52
LMNA P02545 4/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.42

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
SCHEMBL14865306 0.97 PKM (0.54) GAAMAPTLMNAMEN1KMT2A
SCHEMBL1558275 0.87 MAPT (0.58) GAAMAPTLMNAMEN1KMT2A
SCHEMBL9169640 0.80 PKM (0.60) GAAMAPTLMNAMEN1KMT2A
SCHEMBL9172752 0.80 PKM (0.60) GAAMAPTLMNAMEN1KMT2A
SCHEMBL5506840 0.79 PKM (0.63) GAAMAPTLMNAMEN1KMT2A
SCHEMBL10024469 0.79 GAA (0.60) GAAMAPTLMNAMEN1KMT2A
SCHEMBL17737257 0.79 MAPT (0.45) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL12216012 0.79 NPC1 (0.42) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL14565609 0.78 MGLL (0.42) GAAMAPTKMT2APKMHTT
SCHEMBL13322144 0.78 PRMT5 (0.57) GAAMAPTLMNAMEN1KMT2A

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-20070059211-A1 TNT sensor containing molecularly imprinted sol gel-derived films THE COLLEGE OF WOOSTER (US) 2007-03-15 US claimed