SCHEMBL9682927

SCHEMBL9682927

COc1nc(OC)nc(N(C(N)=NN)S(=O)(=O)c2ccccc2OC(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.31
NR1I2 O75469 1/20 0.31
CNR2 P34972 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
F2 P00734 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10918634 0.86 MEN1 (0.34) MEN1KMT2AHCRTR1HCRTR2
SCHEMBL9742404 0.86 HCRTR1 (0.43) MEN1KMT2AL3MBTL1SLC22A12PTGES2
SCHEMBL9589357 0.85 MEN1 (0.36) MEN1KMT2ASLC22A12F2
SCHEMBL9585742 0.79 MEN1 (0.34) MEN1KMT2ASLC22A12HCRTR1HCRTR2
SCHEMBL9586542 0.79 KMT2A (0.38) MEN1KMT2AF2
SCHEMBL9587373 0.78 CA1 (0.48) MEN1KMT2AL3MBTL1F2TDP1
SCHEMBL11053614 0.77 SLC22A12 (0.34) MEN1KMT2AL3MBTL1SLC22A12PTGES2
SCHEMBL8441174 0.74 MEN1 (0.36) MEN1KMT2AL3MBTL1SLC22A12NR1I2
SCHEMBL9740917 0.73 SMN1; SMN2 (0.38) MEN1KMT2ASLC22A12F2
SCHEMBL9729959 0.73 SMN1; SMN2 (0.36) MEN1KMT2ASLC22A12PTGES2NR1I2

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