SCHEMBL8323904

SCHEMBL8323904

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(OC)c(OCC(=O)N4CCOCC4)c3)ncnc2OCCOC(=O)N(F)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.47
EDNRB P24530 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHA2 P29317 1/20 0.40
KDR P35968 1/20 0.40
EPHB4 P54760 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL8327386 0.92 EDNRA (0.48) EDNRAEDNRBSMN1; SMN2MEN1KMT2A
SCHEMBL8323252 0.88 EDNRA (0.59) EDNRAEDNRBSMN1; SMN2MEN1KMT2A
SCHEMBL8327010 0.87 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8323894 0.87 EDNRA (0.47) EDNRAEDNRBSMN1; SMN2MEN1KMT2A
SCHEMBL8323818 0.85 EDNRA (0.48) EDNRAEDNRBSMN1; SMN2MEN1KMT2A
SCHEMBL8326215 0.84 EDNRA (0.52) EDNRAEDNRB
SCHEMBL8324546 0.84 EDNRA (0.47) EDNRAEDNRBEPHA2KDREPHB4
SCHEMBL9090626 0.83 EDNRA (0.51) EDNRAEDNRB
SCHEMBL8320816 0.81 EDNRA (0.64) EDNRAEDNRBSMN1; SMN2KMT2AEPHA2
SCHEMBL8327017 0.81 EDNRA (0.55) EDNRAEDNRBLMNA

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