SCHEMBL8288492

SCHEMBL8288492

CCOC(=O)c1c(-c2ccc(-c3sccc3SC)cc2)c(C#N)c(C)n1C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 12/20 0.47
GRIA2 P42262 11/20 0.47
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 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
SCHEMBL4381290 0.90 GRIA2 (0.55) GRIA4GRIA2ALDH1A1KDM4EHPGD
SCHEMBL13611763 0.90 GRIA4 (0.41) GRIA4GRIA2ALDH1A1KDM4EHPGD
SCHEMBL4375372 0.88 GRIA4 (0.40) GRIA4GRIA2ALDH1A1KDM4EHPGD
SCHEMBL4369403 0.83 GRIA4 (0.63) GRIA4GRIA2ALDH1A1KDM4EL3MBTL1
SCHEMBL4486927 0.82 KDM4E (0.41) GRIA4GRIA2ALDH1A1KDM4EHPGD
SCHEMBL4371152 0.81 GRIA4 (0.56) GRIA4GRIA2ALDH1A1KDM4EHPGD
SCHEMBL8289380 0.81 GRIA4 (0.52) GRIA4GRIA2ALDH1A1KDM4EL3MBTL1
SCHEMBL4378375 0.80 GRIA4 (0.73) GRIA4GRIA2ALDH1A1KDM4EL3MBTL1
SCHEMBL4381305 0.80 GRIA4 (0.55) GRIA4GRIA2ALDH1A1KDM4EHPGD
SCHEMBL8288389 0.79 ALDH1A1 (0.45) GRIA4GRIA2ALDH1A1KDM4EHPGD

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-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO disclosed