SCHEMBL8327799

SCHEMBL8327799

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc4c(c3)OCO4)nc(SC)nc2OCCO)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.57
EDNRB P24530 7/20 0.42
PIK3CG P48736 1/20 0.41
TSHR P16473 1/20 0.41
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
DHPS P49366 1/20 0.41
NR1H3 Q13133 1/20 0.41
NR1I3 Q14994 1/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL9157393 0.91 MAPT (0.45) EDNRAEDNRBTSHRMAPTHPGD
SCHEMBL8324961 0.88 EDNRA (0.58) EDNRAEDNRBPIK3CGTSHRABCC3
SCHEMBL8321783 0.88 EDNRA (0.58) EDNRAEDNRBPIK3CGTSHRABCC3
SCHEMBL8322059 0.87 EDNRA (0.56) EDNRAEDNRBPIK3CGTSHRMAPT
SCHEMBL9092481 0.87 EDNRA (0.55) EDNRAEDNRBPIK3CGTSHRABCC3
SCHEMBL8324259 0.87 MAPT (0.46) EDNRATSHRMAPTHPGDMEN1
SCHEMBL8319472 0.86 EDNRA (0.56) EDNRAEDNRBPIK3CGTSHRABCC3
SCHEMBL9092273 0.86 EDNRA (0.52) EDNRAEDNRB
SCHEMBL9152792 0.85 EDNRA (0.54) EDNRAEDNRBPIK3CGTSHRMAPT
SCHEMBL9152112 0.84 EDNRA (0.54) EDNRAEDNRBPIK3CGTSHRABCC3

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 3 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
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed