SCHEMBL8324693

SCHEMBL8324693

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(CCC(=O)N4CCOCC4)cc3)ncnc2OCCO)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.61
EDNRB P24530 4/20 0.50
FKBP1A P62942 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8320816 0.92 EDNRA (0.64) EDNRAEDNRBFKBP1AALDH1A1KMT2A
SCHEMBL8322054 0.91 EDNRA (0.57) EDNRAEDNRBALDH1A1LMNAMAPT
SCHEMBL8323252 0.88 EDNRA (0.59) EDNRAEDNRBALDH1A1KMT2ALMNA
SCHEMBL8326558 0.88 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8328969 0.87 EDNRA (0.64) EDNRAEDNRBALDH1A1MAPK1KMT2A
SCHEMBL8324941 0.81 EDNRA (0.56) EDNRAEDNRB
SCHEMBL8328310 0.81 EDNRA (0.47) EDNRAEDNRB
SCHEMBL9092381 0.81 EDNRA (0.58) EDNRAEDNRB
SCHEMBL8327017 0.81 EDNRA (0.55) EDNRAEDNRBLMNA
SCHEMBL8323785 0.81 EDNRA (0.51) EDNRAEDNRBALDH1A1LMNA

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