SCHEMBL8977969

SCHEMBL8977969

COC(=O)c1c(C(F)(F)F)noc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.49
EDNRA P25101 6/20 0.49
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.43
P2RY1 P47900 1/20 0.43
NR1I2 O75469 1/20 0.41
MEN1 O00255 1/20 0.40
KIF11 P52732 1/20 0.40
CASP6 P55212 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL8977950 0.88 EDNRB (0.50) EDNRBEDNRAKMT2AP2RY1NR1I2
SCHEMBL7849998 0.81 EDNRA (0.69) EDNRBEDNRAKMT2AP2RY1MEN1
SCHEMBL7715903 0.77 EDNRB (0.64) EDNRBEDNRA
SCHEMBL7857284 0.77 EDNRA (0.52) EDNRBEDNRAKMT2AMEN1
SCHEMBL6151679 0.74 EDNRA (0.72) EDNRBEDNRAKMT2AP2RY1MEN1
SCHEMBL9063613 0.74 EDNRA (0.72) EDNRBEDNRAKMT2AP2RY1MEN1
SCHEMBL7857532 0.71 EDNRA (0.52) EDNRBEDNRAKMT2AP2RY1MEN1
SCHEMBL7857440 0.71 EDNRA (0.52) EDNRBEDNRAKMT2AP2RY1MEN1
SCHEMBL7849843 0.71 EDNRA (0.52) EDNRBEDNRAKMT2AP2RY1MEN1
SCHEMBL9063946 0.71 EDNRA (0.52) EDNRBEDNRAKMT2AP2RY1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514691-A N-(4-halo-isoxazolyl)-sulfonamides and derivatives thereof that modulate the activity of endothelin IMMUNOPHARMACEUTICS, INC. (US) 1996-05-07 US disclosed