SCHEMBL8569502

SCHEMBL8569502

COC(=O)C(=NOCF)C(N)=NOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.39
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
ALDH1A1 P00352 7/20 0.39
GAA P10253 3/20 0.36
PAX8 Q06710 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 3/20 0.33
LMNA P02545 2/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
XBP1 P17861 1/20 0.33

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
SCHEMBL8569756 0.89 F2 (0.40) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8572820 0.89 ALDH1A1 (0.41) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8569669 0.89 F2 (0.43) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8567963 0.81 ALDH1A1 (0.38) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL26324757 0.79 F2 (0.44) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8569675 0.79 F2 (0.42) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL26325189 0.73 KMT2A (0.43) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL13673554 0.70 F2 (0.55) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8569933 0.70 ALDH1A1 (0.41) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL22980477 0.69 F2 (0.49) F2PRSS1PRSS2PRSS3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773624-A Method for preparing 5-amino-1,2,4-thiadiazol acetic acid derivatives KATAYAMA SEIYAKUSYO CO., LTD. (JP) 1998-06-30 US disclosed
EP-0795551-A1 Method for preparing 5-amino-1,2,4-thiadiazol acetic acid derivatives KATAYAMA SEIYAKUSYO CO. Ltd. (JP) 1997-09-17 EP disclosed