SCHEMBL14592011

SCHEMBL14592011

COc1cc(C(C)C)cc(F)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
TDP1 Q9NUW8 6/20 0.37
KDM4E B2RXH2 4/20 0.37
POLB P06746 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BLM P54132 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL26454207 0.84 EIF4A3 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL972269 0.80 PKM (0.41) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27162901 0.78 ACHE (0.41) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26382468 0.78 ALDH1A1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15400557 0.78 PKM (0.41) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1675629 0.77 MAPT (0.43) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2431866 0.77 PKM (0.36) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1675905 0.74 VCAM1 (0.44) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31285704 0.74 PTGS2 (0.46) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30865055 0.74 PKM (0.42) PKMGRIN2DGRIN3BGRIN1GRIN2A

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-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed