SCHEMBL9682375

SCHEMBL9682375

N=C(N)NS(=O)(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.49
EDNRB P24530 4/20 0.43
EDNRA P25101 4/20 0.43
F10 P00742 10/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
BCAT2 O15382 1/20 0.41
UCHL1 P09936 1/20 0.39
USP30 Q70CQ3 1/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
BCL2A1 Q16548 1/20 0.38
BCL2L2 Q92843 1/20 0.38

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
SCHEMBL7023007 0.85 CASP1 (0.54) CASP1EDNRBEDNRAPRSS1PRSS2
SCHEMBL8240985 0.81 CASP1 (0.56) CASP1EDNRBEDNRABCAT2UCHL1
SCHEMBL10915661 0.78 CASP1 (0.45) CASP1EDNRBEDNRAPRSS1PRSS2
SCHEMBL1767981 0.78 CA2 (0.58) CASP1EDNRBEDNRAUCHL1USP30
SCHEMBL29537027 0.78 CA2 (0.58) CASP1EDNRBEDNRAUCHL1USP30
SCHEMBL5147607 0.78 CASP1 (0.54) CASP1EDNRBEDNRA
SCHEMBL20528790 0.77 CA9 (0.50) PRSS1PRSS2PRSS3
SCHEMBL418847 0.77 CASP1 (0.51) CASP1EDNRBEDNRAUCHL1USP30
SCHEMBL1268486 0.76 POLB (0.51) EDNRAMCL1
SCHEMBL27567092 0.76 CA1 (0.50) EDNRBEDNRA

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
EP-0499096-A1 Substituted arylsulfonylaminoguanidinotriazines BAYER AG (DE) 1992-08-19 EP disclosed
CN-1050873-A The alkylsulfonyl guanylhydrazones that replaces BAYER AG (DE) 1991-04-24 CN disclosed