SCHEMBL8569756

SCHEMBL8569756

CCON=C(C(=O)OC)C(N)=NOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 4/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34
XBP1 P17861 1/20 0.34

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
SCHEMBL8569669 0.90 F2 (0.43) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8569502 0.89 F2 (0.39) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8567963 0.87 ALDH1A1 (0.38) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL26324757 0.80 F2 (0.44) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8569675 0.80 F2 (0.42) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8572820 0.78 ALDH1A1 (0.41) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL20565357 0.75 KMT2A (0.44) ALDH1A1MAPTRAB9ANPSR1NPC1
SCHEMBL26325189 0.74 KMT2A (0.43) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL22980394 0.72 F2 (0.45) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL22980392 0.72 F2 (0.45) 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