SCHEMBL6397374

SCHEMBL6397374

CN(CCO)c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.39
CHEK1 O14757 1/20 0.35
POLB P06746 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 3/20 0.34
TMEM97 Q5BJF2 1/20 0.34
ALDH1A1 P00352 6/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
RIPK1 Q13546 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL24089693 0.83 S1PR4 (0.42) PRKDCPOLBL3MBTL1LMNAALDH1A1
SCHEMBL18190177 0.78 ABCB1 (0.43) L3MBTL1TMEM97ALDH1A1MEN1KMT2A
SCHEMBL1864142 0.77 ATM (0.36) POLBALDH1A1MAPTKDM4EMEN1
SCHEMBL4755289 0.77
SCHEMBL8544940 0.77
SCHEMBL592513 0.75
Fluoride SCHEMBL9450647 0.73
SCHEMBL14561874 0.71 ALDH1A1 (0.48) LMNATMEM97ALDH1A1MAPTKDM4E
SCHEMBL10818982 0.71 ALDH1A1 (0.32) POLBLMNAALDH1A1MAPTRECQL
SCHEMBL6397383 0.69 ALOX5 (0.41) POLBL3MBTL1LMNATMEM97ALDH1A1

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-6878705-B2 4-oxo-4,7-dihydrofuro[2,3-b]pyridine-5-carboxamide antiviral agents PFIZER (US) 2005-04-12 US disclosed