SCHEMBL8326008

SCHEMBL8326008

COc1ccc(Cl)c(Cc2c(OCCO)nc(N3CCOCC3)nc2N(CC(C)C)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.47
MAPT P10636 2/20 0.37
PIK3CA P42336 3/20 0.36
MTOR P42345 1/20 0.36
ALDH1A1 P00352 6/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
OPRK1 P41145 1/20 0.36
KMT2A Q03164 2/20 0.35
KEAP1 Q14145 3/20 0.35
NFE2L2 Q16236 3/20 0.35
TSHR P16473 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
RORC P51449 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 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
SCHEMBL8326904 0.79 EDNRA (0.48) EDNRA
SCHEMBL7018075 0.79 EDNRA (0.48) EDNRAMAPTPIK3CAMTORALDH1A1
SCHEMBL7012433 0.78 EDNRA (0.47) EDNRAMAPTPIK3CAMTORALDH1A1
SCHEMBL7013707 0.77 EDNRA (0.45) EDNRAMAPTPIK3CAMTORALDH1A1
SCHEMBL7013473 0.76 EDNRA (0.44) EDNRAMAPTPIK3CAMTORALDH1A1
SCHEMBL7009897 0.75 EDNRA (0.43) EDNRAMAPTPIK3CAMTORALDH1A1
SCHEMBL8326002 0.74 EDNRA (0.77) EDNRA
SCHEMBL7006907 0.73 EDNRA (0.42) EDNRAMAPTPIK3CAMTORALDH1A1
SCHEMBL7598526 0.72 KMT2A (0.40) EDNRAMAPTALDH1A1HPGDKMT2A
SCHEMBL7322839 0.71 EDNRA (0.42) EDNRAMAPTHPGDKMT2AMEN1

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