SCHEMBL8326451

SCHEMBL8326451

COc1ccc(Oc2c(OCCO)ncnc2N(CC(C)C)S(=O)(=O)c2ccccc2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.41
EDNRB P24530 1/20 0.40
GAA P10253 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MCL1 Q07820 2/20 0.38
BCL2L1 Q07817 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL7325135 0.88 EDNRA (0.44) EDNRAEDNRBGAAALDH1A1CYP1A2
SCHEMBL8321015 0.88 EDNRA (0.45) EDNRAEDNRBGAAMAPTPOLB
SCHEMBL8327752 0.85 RORC (0.40) GAAHCRTR1HCRTR2ALDH1A1CYP1A2
SCHEMBL8326182 0.79 EDNRB (0.45) EDNRAEDNRBGAAMAPTPOLB
SCHEMBL8323223 0.78 GAA (0.38) EDNRAGAAALDH1A1CYP1A2CYP3A4
SCHEMBL7330749 0.78 EDNRA (0.49) EDNRAEDNRB
SCHEMBL7330283 0.77 DHPS (0.46) EDNRAEDNRBLMNAHTT
SCHEMBL7333240 0.77 EDNRA (0.50) EDNRAEDNRB
SCHEMBL7322839 0.77 EDNRA (0.42) EDNRAEDNRBGAAMAPTPOLB
SCHEMBL7329858 0.76 EDNRA (0.62) EDNRAEDNRB

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