SCHEMBL8326014

SCHEMBL8326014

COc1ccccc1Sc1c(OCCO)nc(C)nc1N(CC(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.39
EDNRB P24530 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCL1 Q07820 2/20 0.35
BCL2L1 Q07817 1/20 0.34
DHPS P49366 1/20 0.34
HTR6 P50406 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
SCHEMBL8323223 0.88 GAA (0.38) EDNRAGAAMEN1KMT2ALMNA
SCHEMBL7330283 0.79 DHPS (0.46) EDNRAEDNRBLMNAHTTDHPS
SCHEMBL8802319 0.77 EDNRA (0.52) EDNRAEDNRB
SCHEMBL7322839 0.76 EDNRA (0.42) EDNRAEDNRBGAAMEN1KMT2A
SCHEMBL8322002 0.76 EDNRA (0.46) EDNRAEDNRBGAAMEN1KMT2A
SCHEMBL7330749 0.75 EDNRA (0.49) EDNRAEDNRBDHPS
SCHEMBL7333240 0.74 EDNRA (0.50) EDNRAEDNRBDHPS
SCHEMBL7329858 0.73 EDNRA (0.62) EDNRAEDNRBDHPS
SCHEMBL7327055 0.72 EDNRA (0.48) EDNRAEDNRBDHPS
SCHEMBL7327165 0.72 EDNRA (0.53) EDNRAEDNRBDHPS

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