SCHEMBL11490369

SCHEMBL11490369

CN=NNS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.58
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58
GAA P10253 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
ALDH1A1 P00352 7/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 2/20 0.48

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
SCHEMBL4170122 0.83 F2 (0.61) F2PRSS1PRSS2PRSS3GAA
SCHEMBL2722831 0.79 F2 (0.61) F2PRSS1PRSS2PRSS3GAA
SCHEMBL17189502 0.78 F2 (0.59) F2PRSS1PRSS2PRSS3GAA
Methane SCHEMBL28216690 0.78 F2 (0.59) F2PRSS1PRSS2PRSS3GAA
SCHEMBL8204252 0.78 F2 (0.59) F2PRSS1PRSS2PRSS3GAA
SCHEMBL28454107 0.76 F2 (0.58) F2PRSS1PRSS2PRSS3GAA
SCHEMBL6634591 0.74 F2 (0.71) F2PRSS1PRSS2PRSS3GAA
SCHEMBL12748381 0.74 ALDH1A1 (0.62) F2PRSS1PRSS2PRSS3GAA
SCHEMBL10926045 0.74 ALDH1A1 (0.62) F2PRSS1PRSS2PRSS3GAA
SCHEMBL5279394 0.74 ALDH1A1 (0.62) F2PRSS1PRSS2PRSS3GAA

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
EP-0008343-A1 Cephalosporin derivatives, processes for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-03-05 EP disclosed