SCHEMBL7983774

SCHEMBL7983774

Cc1c(CO)cccc1OCC#N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.42
CD274 Q9NZQ7 3/20 0.42
PDE10A Q9Y233 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNN4 O15554 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
FFAR1 O14842 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL7003874 0.82 KDM4E (0.40) PDE10AMAPTMAPK1L3MBTL1KCNN4
SCHEMBL27558061 0.79 TRPA1 (0.41) PDE10AMAPTMAPK1TDP1L3MBTL1
SCHEMBL7404589 0.79 HTR1B (0.51) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL2354192 0.79 PDCD1 (0.47) PDCD1CD274MAPTMAPK1TDP1
SCHEMBL4848836 0.77 TSHR (0.37) PDCD1CD274S1PR1ALDH1A1LMNA
SCHEMBL5203294 0.76 TSHR (0.45) PDE10AMAPTMAPK1TDP1L3MBTL1
SCHEMBL16955136 0.76 PDCD1 (0.44) PDCD1CD274MAPTMAPK1TDP1
SCHEMBL8760084 0.76 MRGPRX4 (0.44) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL3903483 0.76 PDCD1 (0.44) PDCD1CD274MAPTMAPK1TDP1
SCHEMBL13696492 0.76 KCNN4 (0.44) PDE10AMAPTMAPK1TDP1L3MBTL1

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
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed