SCHEMBL10653341

SCHEMBL10653341

CSc1sc(C(=O)O)c(-c2ccccc2)c1C#N

nearest known ligand 0.94

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 6/20 0.94
GRIA2 P42262 2/20 0.74
FNTA P49354 11/20 0.59
FNTB P49356 11/20 0.59
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL3126194 0.89 GRIA4 (0.80) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL16792125 0.87 GRIA4 (0.78) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3136013 0.87 GRIA4 (0.77) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL10652831 0.86 GRIA4 (0.71) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3125313 0.85 GRIA4 (1.00) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL10656067 0.84 GRIA4 (0.80) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3128700 0.84 GRIA4 (0.73) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL2681861 0.83 GRIA4 (0.67) GRIA4GRIA2FNTAFNTBKDM4E
SCHEMBL3135460 0.80 GRIA4 (0.67) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3134093 0.79 GRIA4 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273602-A1 3-Cyano-4-arylthiophenes ELI LILLY AND COMPANY (US) 1988-07-06 EP disclosed