SCHEMBL9778282

SCHEMBL9778282

CC(=O)c1ccc2c(c1)Sc1cc(C#N)ccc1O2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
ABCC9 O60706 2/20 0.39
KDM4E B2RXH2 2/20 0.38
NOX1 Q9Y5S8 2/20 0.38
MEN1 O00255 1/20 0.38
CYBB P04839 1/20 0.38
APP P05067 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
SNCA P37840 1/20 0.38
KMT2A Q03164 1/20 0.38
NOX3 Q9HBY0 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL5358787 0.86 MAPT (0.46) MAPTKDM4ENOX1MEN1CYBB
SCHEMBL9778322 0.79 NOX1 (0.51) MAPTALDH1A1KDM4ENOX1MEN1
SCHEMBL14468403 0.79 CYP2A6 (0.49) MAPTALDH1A1KDM4ENOX1MEN1
SCHEMBL9778273 0.78 NOX1 (0.40) MAPTKDM4ENOX1MEN1CYBB
SCHEMBL14446398 0.75 MAPT (0.38) MAPTALDH1A1KDM4ENOX1MEN1
SCHEMBL11552722 0.75 MAOA (0.47) MAPTKDM4ENOX1MEN1CYBB
SCHEMBL11550196 0.75 SNCA (0.38) SNCALMNAMAPK1
SCHEMBL11012906 0.74 MAPT (0.42) MAPTALDH1A1NOX1MEN1CYBB
SCHEMBL9778237 0.72 ALOX5 (0.44)
SCHEMBL163209 0.70 ALDH1A1 (0.72) MAPTALDH1A1KMT2ALMNAL3MBTL1

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-5036067-A Enzyme inhibotors MERCK & CO., INC. (US) 1991-07-30 US disclosed