SCHEMBL8323894

SCHEMBL8323894

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(OC)c(OCC(=O)N4CCOCC4)c3)ncnc2OCCOC(=O)Nc2ccccc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.47
EDNRB P24530 7/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
KDR P35968 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
EPHA2 P29317 1/20 0.40
EPHB4 P54760 1/20 0.40
LMNA P02545 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 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
SCHEMBL8327380 0.92 EDNRA (0.49) EDNRAEDNRBKMT2A
SCHEMBL8327010 0.90 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8323818 0.89 EDNRA (0.48) EDNRAEDNRBSMN1; SMN2KDRKMT2A
SCHEMBL8327032 0.88 EDNRA (0.46) EDNRAEDNRB
SCHEMBL8324546 0.88 EDNRA (0.47) EDNRAEDNRBKDREPHA2EPHB4
SCHEMBL8323252 0.87 EDNRA (0.59) EDNRAEDNRBSMN1; SMN2KDRKMT2A
SCHEMBL8323904 0.87 EDNRA (0.47) EDNRAEDNRBSMN1; SMN2KDRKMT2A
SCHEMBL8326211 0.84 EDNRA (0.51) EDNRAEDNRB
SCHEMBL8327017 0.84 EDNRA (0.55) EDNRAEDNRBLMNA
SCHEMBL8328733 0.83 EDNRB (0.49) 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 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