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SCHEMBL5728657

SCHEMBL5728657

CS(=O)(=O)c1sc(C(=O)O)c(-c2ccc(-c3ccccc3C#N)cc2)c1C#N

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRIA4 P48058 13/20 0.67
▸ GRIA2 P42262 8/20 0.67
▸ FNTA P49354 5/20 0.46
▸ FNTB P49356 5/20 0.46
▸ KMT2A Q03164 1/20 0.42
▸ ESR2 Q92731 1/20 0.42

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
SCHEMBL3131147 0.85 GRIA2 (0.49) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3136013 0.81 GRIA4 (0.77) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3138108 0.81 GRIA4 (0.66) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3126306 0.80 GRIA4 (1.00) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3138584 0.79 GRIA4 (0.65) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL2680927 0.74 GRIA2 (0.56) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL8282914 0.73 GRIA4 (0.51) GRIA4GRIA2FNTAFNTBESR2
SCHEMBL3259863 0.71 GRIA4 (0.61) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3128645 0.70 GRIA4 (0.54) GRIA4GRIA2ESR2
SCHEMBL5728220 0.70 GRIA4 (0.55) GRIA4GRIA2FNTAFNTBKMT2A

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 2 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