SCHEMBL8568213

SCHEMBL8568213

Cc1c(N(C)CC(F)(F)F)ccc(-c2ccc(-c3ncco3)cc2)c1S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.42
EDNRB P24530 17/20 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
SCHEMBL8566288 0.72 EDNRB (0.44) EDNRAEDNRB
SCHEMBL8568208 0.67 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8720353 0.65 CFTR (0.47) EDNRAEDNRB
SCHEMBL8720324 0.65 CFTR (0.40) EDNRAEDNRB
SCHEMBL18118210 0.64 CA2 (0.54)
Methane SCHEMBL8717489 0.64 EDNRB (0.36) EDNRAEDNRB
SCHEMBL6986037 0.63 EDNRB (0.56) EDNRAEDNRB
SCHEMBL7408121 0.62 HPGDS (0.44) EDNRAEDNRB
SCHEMBL8572342 0.60 EDNRA (0.67) EDNRAEDNRB
SCHEMBL722557 0.60 LTA4H (0.64) 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 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