SCHEMBL5313008

SCHEMBL5313008

CCCCCS(=O)(=O)C(=N)N

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.43
FAAH O00519 4/20 0.43
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
TP53 P04637 1/20 0.38
ENPP2 Q13822 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
CES1 P23141 3/20 0.36
CES2 O00748 1/20 0.36

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
SCHEMBL4794021 0.79 CA2 (0.45) CA2FAAHTP53ENPP2CES1
SCHEMBL5015091 0.77 CA2 (0.48) CA2FAAHTP53CES1CES2
Guanidine SCHEMBL6335518 0.76 EPHX2 (0.49) CA2FAAHSPHK2SPHK1TP53
Guanidine SCHEMBL38650890 0.76 EPHX2 (0.49) CA2FAAHSPHK2SPHK1TP53
Hexane SCHEMBL28169779 0.75 TP53 (0.54) CA2SPHK2SPHK1TP53NOS3
SCHEMBL8634688 0.73 FAAH (0.48) CA2FAAHENPP2CES1CES2
SCHEMBL10917863 0.73 FAAH (0.54) CA2FAAHENPP2CES1CES2
SCHEMBL6261696 0.72 RELA (0.40) CA2FAAHSPHK2SPHK1
SCHEMBL3217870 0.72 ENPP2 (0.41) CA2FAAHTP53ENPP2CES1
SCHEMBL11881585 0.71 AKR1B1 (0.50) FAAHCES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300093-B Sulfonyl formamidine compound and synthesis method and application thereof 长江师范学院 2023-02-24 CN disclosed
CN-112300093-A Sulfonyl formamidine compound and synthesis method and application thereof 长江师范学院 2021-02-02 CN disclosed
EP-1751152-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE Bayer CropScience Aktiengesellschaft (DE) 2007-02-14 EP disclosed
WO-2005113553-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE BAYER CROPSCIENCE AG (DE) 2005-12-01 WO disclosed