SCHEMBL9682816

SCHEMBL9682816

COC(=O)c1ccccc1S(=O)(=O)NN=C(Nc1nc(C)nc(OC)n1)NS(=O)(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35
MAPT P10636 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
EDNRA P25101 1/20 0.35

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
SCHEMBL9684036 0.95 NPC1 (0.40) NPC1GAAPDCD1CD274MEN1
SCHEMBL9683305 0.94 KMT2A (0.40) NPC1GAAMEN1KMT2ASLC40A1
SCHEMBL9478676 0.89 MAPT (0.37) NPC1GAAMEN1KMT2ASLC40A1
SCHEMBL9479411 0.88 KMT2A (0.43) NPC1GAAMEN1KMT2ASLC40A1
SCHEMBL9477385 0.88 KMT2A (0.36) NPC1GAAMEN1KMT2ASLC40A1
SCHEMBL9478085 0.87 TSHR (0.38) NPC1KMT2AMAPT
SCHEMBL9478712 0.86 ALDH1A1 (0.36) NPC1GAAMEN1KMT2ASLC40A1
SCHEMBL9479580 0.84 ALDH1A1 (0.37) NPC1MEN1KMT2AMAPTF2
SCHEMBL9683301 0.83 CA1 (0.40) NPC1GAAMEN1KMT2ASLC40A1
SCHEMBL10837079 0.82 EDNRA (0.39) PDCD1CD274MAPTEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0499096-A1 Substituted arylsulfonylaminoguanidinotriazines BAYER AG (DE) 1992-08-19 EP claimed
EP-0499096-A1 Substituted arylsulfonylaminoguanidinotriazines BAYER AG (DE) 1992-08-19 EP disclosed
EP-0499096-A1 Substituted arylsulfonylaminoguanidinotriazines BAYER AG (DE) 1992-08-19 EP disclosed