Sugi Predict

Sugi Predict / Compounds / SCHEMBL4790273

SCHEMBL4790273

SCHEMBL4790273

CCCCC(=O)N(C)[C@H](C(=O)NCc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(C(F)(F)F)c1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.47
▸ EDNRB P24530 1/20 0.46

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
SCHEMBL4793601 0.91 EDNRA (0.48) EDNRA
SCHEMBL4795043 0.90 EDNRA (0.51) EDNRA
SCHEMBL4792567 0.90 EDNRA (0.49) EDNRA
SCHEMBL4790314 0.88 EDNRA (0.49) EDNRA
SCHEMBL4769412 0.88 EDNRA (0.57) EDNRAEDNRB
SCHEMBL4769447 0.86 EDNRA (0.57) EDNRAEDNRB
SCHEMBL4764840 0.86 EDNRA (0.47) EDNRAEDNRB
SCHEMBL4791790 0.85 EDNRA (0.54) EDNRAEDNRB
SCHEMBL4766190 0.83 EDNRA (0.59) EDNRAEDNRB
SCHEMBL4793393 0.81 EDNRA (0.55) 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
EP-2002837-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-17 — — EP disclosed