SCHEMBL8323223

SCHEMBL8323223

COc1ccccc1Sc1c(OCCO)ncnc1N(CC(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
EDNRA P25101 3/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 1/20 0.35
NR1H2 P55055 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL8326014 0.88 EDNRA (0.39) GAAMEN1KMT2AEDNRALMNA
SCHEMBL7325135 0.79 EDNRA (0.44) GAAEDNRALMNAHTTALDH1A1
SCHEMBL8326451 0.78 EDNRA (0.41) GAAMEN1KMT2AEDNRALMNA
SCHEMBL8321015 0.75 EDNRA (0.45) GAAMEN1KMT2AEDNRALMNA
SCHEMBL7330749 0.74 EDNRA (0.49) EDNRA
SCHEMBL7333240 0.74 EDNRA (0.50) EDNRA
SCHEMBL8802319 0.73 EDNRA (0.52) EDNRA
SCHEMBL7329858 0.73 EDNRA (0.62) EDNRA
SCHEMBL7327055 0.72 EDNRA (0.48) EDNRA
SCHEMBL7327165 0.71 EDNRA (0.53) EDNRA

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-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed