SCHEMBL5728030

SCHEMBL5728030

CCOC(=O)c1sc(CC)c(C#N)c1-c1ccc(-c2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.53
FNTB P49356 12/20 0.53
GRIA2 P42262 1/20 0.53
GRIA4 P48058 1/20 0.53
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRAF P15056 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL8283305 0.88 FNTA (0.51) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3135478 0.87 FNTA (0.69) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3129020 0.86 FNTA (0.55) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3136071 0.86 FNTA (0.55) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL8281925 0.86 GRIA4 (0.70) FNTAFNTBGRIA2GRIA4KMT2A
SCHEMBL8282788 0.84 GRIA2 (0.54) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL13522951 0.84 FNTA (0.53) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3142539 0.84 FNTA (0.53) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3137856 0.84 GRIA4 (0.75) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3131093 0.83 FNTA (0.53) FNTAFNTBGRIA2GRIA4ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706395-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 WO disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 WO disclosed