SCHEMBL4053371

SCHEMBL4053371

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

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 3/20 0.83
ADAMTS5 Q9UNA0 3/20 0.83
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
PDE4B Q07343 5/20 0.72
PDE3A Q14432 4/20 0.72
ALDH1A1 P00352 1/20 0.72
LMNA P02545 1/20 0.72
MAPT P10636 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
DYRK1A Q13627 1/20 0.66
CTSD P07339 1/20 0.64
PTPN1 P18031 2/20 0.62
MGAM O43451 1/20 0.61
GAA P10253 1/20 0.61
SI P14410 1/20 0.61
MGAM2 Q2M2H8 1/20 0.61

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
SCHEMBL4053367 1.00 CISD1 (0.83) CISD1ADAMTS5MEN1KMT2APDE4B
SCHEMBL22971872 0.91 CISD1 (1.00) CISD1ADAMTS5MEN1KMT2APDE4B
SCHEMBL23496324 0.91 CISD1 (1.00) CISD1ADAMTS5MEN1KMT2APDE4B
SCHEMBL23496323 0.91 CISD1 (1.00) CISD1ADAMTS5MEN1KMT2APDE4B
SCHEMBL21263140 0.90 CISD1 (1.00) CISD1ADAMTS5MEN1KMT2APDE4B
SCHEMBL1609551 0.90 CISD1 (1.00) CISD1ADAMTS5MEN1KMT2APDE4B
SCHEMBL23496326 0.89 ADAMTS5 (0.79) CISD1ADAMTS5MEN1KMT2APDE4B
SCHEMBL23496327 0.89 ADAMTS5 (0.79) CISD1ADAMTS5MEN1KMT2APDE4B
SCHEMBL21263138 0.87 CISD1 (1.00) CISD1ADAMTS5MEN1KMT2APDE4B
SCHEMBL4057761 0.85 ADAMTS5 (0.75) CISD1ADAMTS5MEN1KMT2APDE4B

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