SCHEMBL8323252

SCHEMBL8323252

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(OC)c(OCC(=O)N4CCOCC4)c3)ncnc2OCCO)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.59
EDNRB P24530 4/20 0.49
LMNA P02545 1/20 0.47
EPHA2 P29317 1/20 0.47
KDR P35968 1/20 0.47
EPHB4 P54760 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
GAA P10253 1/20 0.42

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 0.93 EDNRA (0.64) EDNRAEDNRBLMNAEPHA2KDR
SCHEMBL8322054 0.90 EDNRA (0.57) EDNRAEDNRBLMNAEPHA2KDR
SCHEMBL8324487 0.90 EDNRA (0.61) EDNRAEDNRBLMNA
SCHEMBL8327574 0.89 EDNRA (0.62) EDNRAEDNRBLMNASMN1; SMN2MEN1
SCHEMBL8323818 0.89 EDNRA (0.48) EDNRAEDNRBLMNAEPHA2KDR
SCHEMBL8327010 0.88 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8323904 0.88 EDNRA (0.47) EDNRAEDNRBLMNAEPHA2KDR
SCHEMBL8324546 0.88 EDNRA (0.47) EDNRAEDNRBLMNAEPHA2KDR
SCHEMBL8324693 0.88 EDNRA (0.61) EDNRAEDNRBLMNASMN1; SMN2KMT2A
SCHEMBL8329894 0.88 EDNRA (0.60) 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 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