SCHEMBL6640669

SCHEMBL6640669

CC(O)(CO)c1cccc[n+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC2A1 P11166 1/20 0.35
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30630362 0.80 LMNA (0.40) LMNAHTTKDM4ETDP1SLC2A1
SCHEMBL6640541 0.80 LMNA (0.40) LMNAHTTKDM4ETDP1SLC2A1
SCHEMBL2616406 0.76 LMNA (0.48) LMNAHTTKDM4ETDP1SLC2A1
SCHEMBL5943305 0.71 MLYCD (0.33)
SCHEMBL3476708 0.71 LMNA (0.46) LMNAHTTKDM4ETDP1SLC2A1
SCHEMBL113414 0.67 LMNA (0.43) LMNAHTTKDM4ETDP1SLC2A1
SCHEMBL29427272 0.67 LMNA (0.43) LMNAHTTKDM4ETDP1SLC2A1
SCHEMBL8651749 0.67 KDM4E (0.33) LMNAHTTKDM4ETDP1
SCHEMBL7192 0.65 CYP2C19 (0.47) LMNAKDM4EKMT2AALDH1A1
SCHEMBL6472876 0.65 CYP2C19 (0.47) LMNAKDM4EKMT2AALDH1A1

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
EP-1397359-A1 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-03-17 EP disclosed
WO-2002094823-A1 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-11-28 WO disclosed