SCHEMBL9683305

SCHEMBL9683305

COC(=O)c1ccccc1S(=O)(=O)NN=C(Nc1nc(C)nc(OC)n1)NS(=O)(=O)c1ccccc1C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
MAPT P10636 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN5 P54829 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
BRD4 O60885 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL9478676 0.95 MAPT (0.37) KMT2AMEN1NPC1GAACA1
SCHEMBL9479411 0.94 KMT2A (0.43) KMT2AMEN1NPC1GAACA1
SCHEMBL9682816 0.94 NPC1 (0.38) KMT2AMEN1NPC1GAACA1
SCHEMBL9477385 0.94 KMT2A (0.36) KMT2AMEN1NPC1GAACA1
SCHEMBL9478085 0.93 TSHR (0.38) KMT2ANPC1MAPTPOLB
SCHEMBL9478712 0.92 ALDH1A1 (0.36) KMT2AMEN1NPC1GAACA1
SCHEMBL9479580 0.90 ALDH1A1 (0.37) KMT2AMEN1NPC1MAPTF2
SCHEMBL9683301 0.89 CA1 (0.40) KMT2AMEN1NPC1GAACA1
SCHEMBL9480777 0.88 TSHR (0.37) KMT2ANPC1GAAMAPT
SCHEMBL9684036 0.88 NPC1 (0.40) KMT2AMEN1NPC1GAACA1

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