Sugi Predict

Sugi Predict / Compounds / SCHEMBL8568526

SCHEMBL8568526

SCHEMBL8568526

COCCOCN(c1noc(C)c1C)S(=O)(=O)c1c(-c2ccc(-c3ncco3)cc2)ccc(N2C=CC(C(F)(F)F)N2)c1C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 1/20 0.30
▸ EDNRA P25101 1/20 0.30

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
SCHEMBL6640387 0.79 EDNRB (0.43) EDNRBEDNRA
SCHEMBL6638557 0.70 EDNRA (0.48) EDNRBEDNRA
SCHEMBL6646134 0.69 EDNRA (0.48) EDNRBEDNRA
SCHEMBL6641177 0.69 EDNRA (0.46) EDNRBEDNRA
SCHEMBL6975042 0.65 EDNRB (0.66) EDNRBEDNRA
SCHEMBL6641243 0.63 EDNRA (0.54) EDNRBEDNRA
SCHEMBL8684845 0.63 EDNRB (0.31) EDNRBEDNRA
SCHEMBL4773487 0.62 EDNRB (0.35) EDNRBEDNRA
SCHEMBL6700336 0.61 EDNRA (0.48) EDNRBEDNRA
SCHEMBL4773572 0.61 EDNRB (0.35) EDNRBEDNRA

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 — — US disclosed