SCHEMBL8288590

SCHEMBL8288590

Cc1sc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c(N)c1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AIP O00170 1/20 0.76
SGTA O43765 1/20 0.76
TOMM70 O94826 1/20 0.76
STIP1 P31948 1/20 0.76
PPP5C P53041 1/20 0.76
FKBP4 Q02790 1/20 0.76
FKBP5 Q13451 1/20 0.76
FKBP8 Q14318 1/20 0.76
TOMM34 Q15785 1/20 0.76
DNAJC7 Q99615 1/20 0.76
STUB1 Q9UNE7 1/20 0.76
MEN1 O00255 13/20 0.65
KMT2A Q03164 13/20 0.65
MAPT P10636 12/20 0.65
ALDH1A1 P00352 10/20 0.65
POLB P06746 10/20 0.65
MCL1 Q07820 9/20 0.65
KDM4E B2RXH2 8/20 0.65
L3MBTL1 Q9Y468 8/20 0.65
HPGD P15428 7/20 0.65

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
SCHEMBL13856578 0.79 MEN1 (1.00) AIPSGTATOMM70STIP1PPP5C
SCHEMBL13856429 0.78 MEN1 (1.00) AIPSGTATOMM70STIP1PPP5C
SCHEMBL8288571 0.78 MAPK1 (0.69) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL13856422 0.78 MEN1 (1.00) AIPSGTATOMM70STIP1PPP5C
SCHEMBL26293025 0.75 KMT2A (0.73) AIPSGTATOMM70STIP1PPP5C
SCHEMBL26293192 0.74 MEN1 (0.85) AIPSGTATOMM70STIP1PPP5C
SCHEMBL15814086 0.74 MEN1 (0.84) AIPSGTATOMM70STIP1PPP5C
SCHEMBL26295615 0.74 KMT2A (0.75) AIPSGTATOMM70STIP1PPP5C
SCHEMBL1895132 0.74 MEN1 (0.77) AIPSGTATOMM70STIP1PPP5C
SCHEMBL26294531 0.73 MEN1 (0.76) AIPSGTATOMM70STIP1PPP5C

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-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed