SCHEMBL8281983

SCHEMBL8281983

CCOC(=O)c1sc(S)c(C#N)c1-c1ccc(N(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.53
FNTB P49356 13/20 0.53
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
PRKCI P41743 1/20 0.43
PRKCZ Q05513 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13522748 0.85 FNTA (0.61) FNTAFNTBKDM4EALDH1A1HPGD
SCHEMBL3128708 0.77 PLA2G1B (0.61) FNTAFNTBKDM4EALDH1A1HPGD
SCHEMBL3133785 0.77 PLA2G1B (0.78) FNTAFNTBKDM4EALDH1A1HPGD
SCHEMBL3137792 0.73 PLA2G1B (0.61) FNTAFNTBKDM4EALDH1A1HPGD
SCHEMBL3135478 0.73 FNTA (0.69) FNTAFNTBKDM4EALDH1A1HPGD
SCHEMBL3138587 0.72 ALDH1A1 (0.49) FNTAFNTBKDM4EALDH1A1HPGD
SCHEMBL3128242 0.72 L3MBTL1 (0.56) FNTAFNTBKDM4EALDH1A1HPGD
SCHEMBL3129020 0.72 FNTA (0.55) FNTAFNTBKDM4EALDH1A1HPGD
SCHEMBL3136071 0.72 FNTA (0.55) FNTAFNTBKDM4EALDH1A1HPGD
SCHEMBL3128982 0.72 FNTA (0.78) FNTAFNTBKDM4EALDH1A1HPGD

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-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 WO disclosed