SCHEMBL8325841

SCHEMBL8325841

COCc1nc(NS(=O)(=O)c2ccc3c(c2)OCO3)c(Oc2cc(OC)ccc2Cl)c(OCCOC(=O)Nc2ccsc2)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.45
EDNRB P24530 12/20 0.41
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL8328960 0.95 EDNRA (0.45) EDNRAEDNRBALDH1A1MEN1KMT2A
SCHEMBL9091512 0.93 EDNRA (0.44) EDNRAEDNRBALDH1A1MEN1KMT2A
SCHEMBL8322011 0.90 EDNRA (0.48) EDNRAEDNRBMAPTLMNAGLA
SCHEMBL8323249 0.88 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8324961 0.86 EDNRA (0.58) EDNRAEDNRBALDH1A1MEN1KMT2A
SCHEMBL8324911 0.83 EDNRA (0.56) EDNRAEDNRB
SCHEMBL9152792 0.82 EDNRA (0.54) EDNRAEDNRBALDH1A1MEN1KMT2A
SCHEMBL9152112 0.82 EDNRA (0.54) EDNRAEDNRBALDH1A1MEN1KMT2A
SCHEMBL8328509 0.82 EDNRA (0.55) EDNRAEDNRB
SCHEMBL9154629 0.82 EDNRA (0.51) EDNRAEDNRBALDH1A1MEN1KMT2A

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 claimed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed