SCHEMBL8280703

SCHEMBL8280703

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.53
FNTB P49356 13/20 0.53
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 1/20 0.49
APOBEC3G Q9HC16 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
BRAF P15056 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3129020 0.84 FNTA (0.55) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL3128242 0.84 L3MBTL1 (0.56) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL3135084 0.83 FNTA (0.63) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL3128708 0.82 PLA2G1B (0.61) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL3138034 0.82 FNTA (0.59) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL3128690 0.81 GRIA2 (0.54) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL13522749 0.78 FNTA (0.81) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL3257463 0.76 FNTA (0.61) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL3139168 0.74 ALDH1A1 (0.44) FNTAFNTBALDH1A1HPGDKDM4E
SCHEMBL3135478 0.73 FNTA (0.69) FNTAFNTBALDH1A1HPGDKDM4E

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