SCHEMBL8949752

SCHEMBL8949752

CN(O)C(=S)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 1.00
ALDH1A1 P00352 3/20 0.70
MAPT P10636 2/20 0.70
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
HPGD P15428 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 1/20 0.54
HSP90AB1 P08238 1/20 0.50
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
FAAH O00519 1/20 0.40
PHGDH O43175 1/20 0.40
MGLL Q99685 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9199685 0.98 HSP90AA1 (0.95) HSP90AA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL8949737 0.98 HSP90AA1 (0.95) HSP90AA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL21625862 0.84 HSP90AA1 (0.73) HSP90AA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL608389 0.82 ALDH1A1 (1.00) HSP90AA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL15402110 0.78 ALDH1A1 (0.67) HSP90AA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL429907 0.78 ALDH1A1 (0.67) HSP90AA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL12808728 0.75 ALDH1A1 (0.61) HSP90AA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL2553666 0.73 ALDH1A1 (0.64) HSP90AA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL9133892 0.72 ALDH1A1 (0.58) HSP90AA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL14696825 0.72 MAPT (0.57) HSP90AA1ALDH1A1MAPTKMT2AMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498636-B1 Cosmetic composition ZENECA LTD (GB) 1995-09-06 EP claimed
EP-0500352-A1 Biocidal compositions containing oxy-phosphorous compounds to enhance solubility ZENECA LIMITED (GB) 1992-08-26 EP claimed
EP-0392648-A1 Metal complexes, the preparation thereof and use as biocides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-17 EP claimed
JP-2247184-A None JP disclosed
US-5500217-A MICROBIOCIDE FOR COSMETICS ZENECA LIMITED (GB) 1996-03-19 US disclosed
US-5451564-A And oxy-phosporus compound ZENECA LIMITED (GB) 1995-09-19 US disclosed
EP-0498636-B1 Cosmetic composition ZENECA LTD (GB) 1995-09-06 EP disclosed
EP-0500352-A1 Biocidal compositions containing oxy-phosphorous compounds to enhance solubility ZENECA LIMITED (GB) 1992-08-26 EP disclosed
WO-1992013520-A1 COMPOSITION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-08-20 WO disclosed
EP-0498636-A1 Cosmetic composition ZENECA LIMITED (GB) 1992-08-12 EP disclosed
EP-0392648-A1 Metal complexes, the preparation thereof and use as biocides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-17 EP disclosed
JP-H02247184-A THIOCOMPOUND COMPLEX, AND ITS PREPARATION AND USE THEREOF IMPERIAL CHEM IND PLC <ICI> 1990-10-02 JP disclosed