Sugi Predict

Sugi Predict / Compounds / SCHEMBL1542579

SCHEMBL1542579

SCHEMBL1542579

COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc(C)[nH]c2=O)cc1C(C)(C)C.COc1c(/C=C/c2ccc(NS(C)(=O)=O)cn2)cc(-c2cc(Cl)c[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.61
▸ CRBN Q96SW2 1/20 0.33

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
SCHEMBL1764335 0.90 CYP3A4 (0.60) CYP3A4CRBN
SCHEMBL1764337 0.90 CYP3A4 (0.60) CYP3A4CRBN
SCHEMBL2129146 0.89 CYP3A4 (0.58) CYP3A4CRBN
SCHEMBL2129151 0.89 CYP3A4 (0.58) CYP3A4CRBN
SCHEMBL1542848 0.87 CYP3A4 (0.76) CYP3A4CRBN
SCHEMBL2130293 0.87 CYP3A4 (0.76) CYP3A4CRBN
SCHEMBL2127702 0.86 CYP3A4 (0.75) CYP3A4CRBN
SCHEMBL2127697 0.86 CYP3A4 (0.75) CYP3A4CRBN
SCHEMBL1764637 0.85 CYP3A4 (0.53) CYP3A4CRBN
SCHEMBL1542924 0.82 CYP3A4 (0.76) CYP3A4CRBN

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-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 — — EP claimed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 — — WO claimed