SCHEMBL4057761

SCHEMBL4057761

COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(C2CCCCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.75
CISD1 Q9NZ45 3/20 0.75
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
PDE4B Q07343 9/20 0.64
PDE3A Q14432 7/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
DYRK1A Q13627 1/20 0.59
HPGD P15428 1/20 0.56

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
SCHEMBL4057759 1.00 ADAMTS5 (0.75) ADAMTS5CISD1MEN1KMT2APDE4B
SCHEMBL23496324 0.86 CISD1 (1.00) ADAMTS5CISD1MEN1KMT2APDE4B
SCHEMBL22971872 0.86 CISD1 (1.00) ADAMTS5CISD1MEN1KMT2APDE4B
SCHEMBL23496323 0.86 CISD1 (1.00) ADAMTS5CISD1MEN1KMT2APDE4B
SCHEMBL4053367 0.85 CISD1 (0.83) ADAMTS5CISD1MEN1KMT2APDE4B
SCHEMBL4053371 0.85 CISD1 (0.83) ADAMTS5CISD1MEN1KMT2APDE4B
SCHEMBL21263140 0.85 CISD1 (1.00) ADAMTS5CISD1MEN1KMT2APDE4B
SCHEMBL1609551 0.85 CISD1 (1.00) ADAMTS5CISD1MEN1KMT2APDE4B
SCHEMBL4049607 0.84 MMP13 (0.69) ADAMTS5HPGD
SCHEMBL4049602 0.84 MMP13 (0.69) ADAMTS5HPGD

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-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed